Name: Name:5-{[(4-chlorophenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one
Brand: Angene
SKU: AG01AJ5Z
Rating: 90 (10 reviews)

5-{[(4-chlorophenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one

CAS No.:

878713-73-6

Catalog Number:

AG01AJ5Z

Molecular Formula:

C14H12ClN3O

Molecular Weight:

273.7176

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG01AJ5Z

Chemical Name:

5-{[(4-chlorophenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one

CAS Number:

878713-73-6

Molecular Formula:

C14H12ClN3O

Molecular Weight:

273.7176

MDL Number:

MFCD07610987

IUPAC Name:

5-[(4-chlorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one

InChI:

InChI=1S/C14H12ClN3O/c15-10-3-1-9(2-4-10)8-16-11-5-6-12-13(7-11)18-14(19)17-12/h1-7,16H,8H2,(H2,17,18,19)

InChI Key:

HWWGJYGURVCFCR-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1)CNc1ccc2c(c1)[nH]c(=O)[nH]2

Properties

Complexity:

331

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

273.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

273.72g/mol

Monoisotopic Mass:

273.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101