N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide

C28H21ClN4O2 — CID 20695031

IUPACN-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccccc5)cc4[nH]3)cc2)c(Cl)c1
InChIInChI=1S/C28H21ClN4O2/c1-17-7-13-22(23(29)15-17)28(35)30-20-10-8-18(9-11-20)26-32-24-14-12-21(16-25(24)33-26)31-27(34)19-5-3-2-4-6-19/h2-16H,1H3,(H,30,35)(H,31,34)(H,32,33)
InChIKeyCOYXYWHZXKCHIF-UHFFFAOYSA-N
MW480.96 g/mol
LogP6.70
Rot. Bonds5

About N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide

N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide (PubChem CID 20695031) has the molecular formula C28H21ClN4O2 and a molecular weight of 480.96 g/mol. Its IUPAC name is N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide
PubChem CID20695031
Molecular FormulaC28H21ClN4O2
Molecular Weight480.96 g/mol
Exact Mass480.14
IUPAC NameN-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccccc5)cc4[nH]3)cc2)c(Cl)c1
InChIInChI=1S/C28H21ClN4O2/c1-17-7-13-22(23(29)15-17)28(35)30-20-10-8-18(9-11-20)26-32-24-14-12-21(16-25(24)33-26)31-27(34)19-5-3-2-4-6-19/h2-16H,1H3,(H,30,35)(H,31,34)(H,32,33)
InChIKeyCOYXYWHZXKCHIF-UHFFFAOYSA-N
XLogP6.70
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.96
LogP ≤ 56.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-methyl-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694828
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578973
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578851
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methoxybenzamide;N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;2,4-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide
CID 159948063
N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;2,4-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide;3,5-dichloro-N-[2-[4-[(4-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide;N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;N-[2-[4-[(4-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]pyridine-3-carboxamide
CID 158419621
N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 168608096
N-(3,5-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578861

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide?
The IUPAC name of N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide (CID 20695031) is N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide.
What is the SMILES notation for N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide?
The canonical SMILES for N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccccc5)cc4[nH]3)cc2)c(Cl)c1.
What is the InChIKey of N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide?
The InChIKey is COYXYWHZXKCHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN4O2/c1-17-7-13-22(23(29)15-17)28(35)30-20-10-8-18(9-11-20)26-32-24-14-12-21(16-25(24)33-26)31-27(34)19-5-3-2-4-6-19/h2-16H,1H3,(H,30,35)(H,31,34)(H,32,33).
What are the key properties of N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide?
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide has a molecular weight of 480.96 g/mol, XLogP of 6.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide is sourced from PubChem (CID 20695031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).