4-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide

C24H22ClN3O — CID 100580774

IUPAC4-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C24H22ClN3O/c1-16(7-8-17-5-3-2-4-6-17)26-24(29)19-11-9-18(10-12-19)23-27-21-14-13-20(25)15-22(21)28-23/h2-6,9-16H,7-8H2,1H3,(H,26,29)(H,27,28)/t16-/m0/s1
InChIKeyZFVFOYGEJAMQSK-INIZCTEOSA-N
MW403.91 g/mol
LogP5.63
Rot. Bonds6

About 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide

4-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide (PubChem CID 100580774) has the molecular formula C24H22ClN3O and a molecular weight of 403.91 g/mol. Its IUPAC name is 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound Name4-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
PubChem CID100580774
Molecular FormulaC24H22ClN3O
Molecular Weight403.91 g/mol
Exact Mass403.15
IUPAC Name4-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C24H22ClN3O/c1-16(7-8-17-5-3-2-4-6-17)26-24(29)19-11-9-18(10-12-19)23-27-21-14-13-20(25)15-22(21)28-23/h2-6,9-16H,7-8H2,1H3,(H,26,29)(H,27,28)/t16-/m0/s1
InChIKeyZFVFOYGEJAMQSK-INIZCTEOSA-N
XLogP5.63
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylbutan-2-yl)-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide
CID 18686014
4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide
CID 100579654
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(4-phenylbutan-2-yl)benzamide
CID 46091856
N-[(2S)-1-amino-1-oxo-4-phenylbutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 59879984
4-(6-chloro-1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide
CID 100580067
1-(6-chloro-1H-benzimidazol-2-yl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
CID 46359054
4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]benzamide
CID 44534673
N-[1-[4-(1H-benzimidazol-2-yl)anilino]-1-oxopropan-2-yl]-4-chlorobenzamide
CID 112767961
(4-benzylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone
CID 100580536
methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 3008656
4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide
CID 100579998

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide (CID 100580774) is 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide.
What is the SMILES notation for 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The canonical SMILES for 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide is C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The InChIKey is ZFVFOYGEJAMQSK-INIZCTEOSA-N. The full InChI is InChI=1S/C24H22ClN3O/c1-16(7-8-17-5-3-2-4-6-17)26-24(29)19-11-9-18(10-12-19)23-27-21-14-13-20(25)15-22(21)28-23/h2-6,9-16H,7-8H2,1H3,(H,26,29)(H,27,28)/t16-/m0/s1.
What are the key properties of 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide?
4-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide has a molecular weight of 403.91 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 100580774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).