4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide

C21H17ClN4O — CID 142812719

IUPAC4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide
SMILESCNc1ccc(-c2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3[nH]2)cc1
InChIInChI=1S/C21H17ClN4O/c1-23-16-8-4-13(5-9-16)20-25-18-11-10-17(12-19(18)26-20)24-21(27)14-2-6-15(22)7-3-14/h2-12,23H,1H3,(H,24,27)(H,25,26)
InChIKeyOWNMYBBNOBHKFM-UHFFFAOYSA-N
MW376.85 g/mol
LogP5.18
Rot. Bonds4

About 4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide

4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide (PubChem CID 142812719) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide
PubChem CID142812719
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide
SMILESCNc1ccc(-c2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3[nH]2)cc1
InChIInChI=1S/C21H17ClN4O/c1-23-16-8-4-13(5-9-16)20-25-18-11-10-17(12-19(18)26-20)24-21(27)14-2-6-15(22)7-3-14/h2-12,23H,1H3,(H,24,27)(H,25,26)
InChIKeyOWNMYBBNOBHKFM-UHFFFAOYSA-N
XLogP5.18
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.85
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide
CID 100579998
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077
N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-2-carboxamide
CID 142813059
methyl 4-[[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoate
CID 3568302
N-[4-(dimethylamino)phenyl]-2-[4-[[4-(dimethylamino)phenyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686135
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
N-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 67112793
methyl N-[4-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]carbamate
CID 155944894
N-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide
CID 67686397
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide (CID 142812719) is 4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide is CNc1ccc(-c2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3[nH]2)cc1.
What is the InChIKey of 4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide?
The InChIKey is OWNMYBBNOBHKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-23-16-8-4-13(5-9-16)20-25-18-11-10-17(12-19(18)26-20)24-21(27)14-2-6-15(22)7-3-14/h2-12,23H,1H3,(H,24,27)(H,25,26).
What are the key properties of 4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide?
4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide has a molecular weight of 376.85 g/mol, XLogP of 5.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 142812719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).