Name: Name:1-(1-Ethylpropyl)-5,6-dimethyl-7-nitro-1H-benzimidazole
Brand: Angene
SKU: AG003ALY
Rating: 90 (10 reviews)

1-(1-Ethylpropyl)-5,6-dimethyl-7-nitro-1H-benzimidazole

CAS No.:

73215-11-9

Catalog Number:

AG003ALY

Molecular Formula:

C14H19N3O2

Molecular Weight:

261.3196

Catalog Number:

AG003ALY

Chemical Name:

1-(1-Ethylpropyl)-5,6-dimethyl-7-nitro-1H-benzimidazole

CAS Number:

73215-11-9

Molecular Formula:

C14H19N3O2

Molecular Weight:

261.3196

IUPAC Name:

5,6-dimethyl-7-nitro-1-pentan-3-ylbenzimidazole

InChI:

InChI=1S/C14H19N3O2/c1-5-11(6-2)16-8-15-12-7-9(3)10(4)13(14(12)16)17(18)19/h7-8,11H,5-6H2,1-4H3

InChI Key:

PXECYAIQPVLQQT-UHFFFAOYSA-N

SMILES:

CCC(n1cnc2c1c([N+](=O)[O-])c(c(c2)C)C)CC

UNII:

YY4DOC4P28

Complexity:

327

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

261.148g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.325g/mol

Monoisotopic Mass:

261.148g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8