Name: Name:1-[(4-chlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazole
Brand: Angene
SKU: AG019N7P
Rating: 90 (10 reviews)

1-[(4-chlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazole

CAS No.:

141472-79-9

Catalog Number:

AG019N7P

Molecular Formula:

C16H15ClN2

Molecular Weight:

270.7567

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Product Description

Catalog Number:

AG019N7P

Chemical Name:

1-[(4-chlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazole

CAS Number:

141472-79-9

Molecular Formula:

C16H15ClN2

Molecular Weight:

270.7567

MDL Number:

MFCD01304890

IUPAC Name:

1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazole

InChI:

InChI=1S/C16H15ClN2/c1-11-7-15-16(8-12(11)2)19(10-18-15)9-13-3-5-14(17)6-4-13/h3-8,10H,9H2,1-2H3

InChI Key:

AGMQHEBJQCVRFK-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1)Cn1cnc2c1cc(C)c(c2)C

Properties

Complexity:

301

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

270.092g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

270.76g/mol

Monoisotopic Mass:

270.092g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4

Literature

Title	Journal
Discovery of a novel and potent class of F. tularensis enoyl-reductase (FabI) inhibitors by molecular shape and electrostatic matching.	Journal of medicinal chemistry 20120112