6-chloro-N,1-diphenylbenzimidazol-2-amine

C19H14ClN3 — CID 46854683

IUPAC6-chloro-N,1-diphenylbenzimidazol-2-amine
SMILESClc1ccc2nc(Nc3ccccc3)n(-c3ccccc3)c2c1
InChIInChI=1S/C19H14ClN3/c20-14-11-12-17-18(13-14)23(16-9-5-2-6-10-16)19(22-17)21-15-7-3-1-4-8-15/h1-13H,(H,21,22)
InChIKeyWYAPLTPARGPVAH-UHFFFAOYSA-N
MW319.80 g/mol
LogP5.42
Rot. Bonds3

About 6-chloro-N,1-diphenylbenzimidazol-2-amine

6-chloro-N,1-diphenylbenzimidazol-2-amine (PubChem CID 46854683) has the molecular formula C19H14ClN3 and a molecular weight of 319.80 g/mol. Its IUPAC name is 6-chloro-N,1-diphenylbenzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-N,1-diphenylbenzimidazol-2-amine
PubChem CID46854683
Molecular FormulaC19H14ClN3
Molecular Weight319.80 g/mol
Exact Mass319.09
IUPAC Name6-chloro-N,1-diphenylbenzimidazol-2-amine
SMILESClc1ccc2nc(Nc3ccccc3)n(-c3ccccc3)c2c1
InChIInChI=1S/C19H14ClN3/c20-14-11-12-17-18(13-14)23(16-9-5-2-6-10-16)19(22-17)21-15-7-3-1-4-8-15/h1-13H,(H,21,22)
InChIKeyWYAPLTPARGPVAH-UHFFFAOYSA-N
XLogP5.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.80
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-1-phenyl-2-(trifluoromethyl)benzimidazole
CID 83450606
6-chloro-3-phenyl-2-(pyrimidin-2-ylamino)quinazolin-4-one
CID 162498529
methyl 3-[(1-phenylbenzimidazol-2-yl)amino]benzoate
CID 141343666
N,1-bis(4-fluorophenyl)benzimidazol-2-amine
CID 71472918
(2-anilino-5-methyl-3-phenylimidazol-4-yl)-(4-chlorophenyl)methanone
CID 102413641
5-chloro-1,3-diphenylbenzimidazol-2-one
CID 3061785
1-(2-bromo-3-chlorophenyl)-N-phenylbenzimidazol-2-amine
CID 140915736
2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one
CID 156896984
sodium 2-anilino-6-oxo-1-phenylpyrimidin-4-olate
CID 161309550
6-chloro-1-methyl-2-phenylbenzimidazole
CID 12738431
N-(3-chloro-1-benzofuran-2-yl)-1-phenylbenzimidazol-2-amine
CID 155006081
N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine
CID 924403

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,1-diphenylbenzimidazol-2-amine?
The IUPAC name of 6-chloro-N,1-diphenylbenzimidazol-2-amine (CID 46854683) is 6-chloro-N,1-diphenylbenzimidazol-2-amine.
What is the SMILES notation for 6-chloro-N,1-diphenylbenzimidazol-2-amine?
The canonical SMILES for 6-chloro-N,1-diphenylbenzimidazol-2-amine is Clc1ccc2nc(Nc3ccccc3)n(-c3ccccc3)c2c1.
What is the InChIKey of 6-chloro-N,1-diphenylbenzimidazol-2-amine?
The InChIKey is WYAPLTPARGPVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3/c20-14-11-12-17-18(13-14)23(16-9-5-2-6-10-16)19(22-17)21-15-7-3-1-4-8-15/h1-13H,(H,21,22).
What are the key properties of 6-chloro-N,1-diphenylbenzimidazol-2-amine?
6-chloro-N,1-diphenylbenzimidazol-2-amine has a molecular weight of 319.80 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,1-diphenylbenzimidazol-2-amine is sourced from PubChem (CID 46854683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).