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

C29H23ClN4O3 — CID 20694834

IUPAC2-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)c5ccc(C)cc5Cl)cc4)[nH]c3c2)cc1
InChIInChI=1S/C29H23ClN4O3/c1-17-3-13-23(24(30)15-17)29(36)31-20-8-4-18(5-9-20)27-33-25-14-10-21(16-26(25)34-27)32-28(35)19-6-11-22(37-2)12-7-19/h3-16H,1-2H3,(H,31,36)(H,32,35)(H,33,34)
InChIKeyXMPVLAOKLMRJRW-UHFFFAOYSA-N
MW510.98 g/mol
LogP6.70
Rot. Bonds6

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

2-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide (PubChem CID 20694834) has the molecular formula C29H23ClN4O3 and a molecular weight of 510.98 g/mol. Its IUPAC name is 2-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide
PubChem CID20694834
Molecular FormulaC29H23ClN4O3
Molecular Weight510.98 g/mol
Exact Mass510.15
IUPAC Name2-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)c5ccc(C)cc5Cl)cc4)[nH]c3c2)cc1
InChIInChI=1S/C29H23ClN4O3/c1-17-3-13-23(24(30)15-17)29(36)31-20-8-4-18(5-9-20)27-33-25-14-10-21(16-26(25)34-27)32-28(35)19-6-11-22(37-2)12-7-19/h3-16H,1-2H3,(H,31,36)(H,32,35)(H,33,34)
InChIKeyXMPVLAOKLMRJRW-UHFFFAOYSA-N
XLogP6.70
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.98
LogP ≤ 56.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-(4-chlorophenoxy)phenyl)-1H-benzimidazole-5-carboxamide
CID 9969021
N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 44565645
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-chloro-2-methoxybenzamide
CID 1367400
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-propoxybenzamide
CID 2718165
4-methoxy-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 4161341
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide
CID 5343894
HhAntag
CID 9911630
2-[4-(3-Chloro-4-methyl-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10177646
2-[4-(3-Chloro-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10292206
N-(3-(1H-Benzo[d]imidazol-2-yl)-4-chlorophenyl)-2-methoxybenzamide
CID 45484505
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-4-methoxybenzamide
CID 2279050
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 2787162

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide?
The IUPAC name of 2-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide (CID 20694834) is 2-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide is COc1ccc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)c5ccc(C)cc5Cl)cc4)[nH]c3c2)cc1.
What is the InChIKey of 2-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide?
The InChIKey is XMPVLAOKLMRJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClN4O3/c1-17-3-13-23(24(30)15-17)29(36)31-20-8-4-18(5-9-20)27-33-25-14-10-21(16-26(25)34-27)32-28(35)19-6-11-22(37-2)12-7-19/h3-16H,1-2H3,(H,31,36)(H,32,35)(H,33,34).
What are the key properties of 2-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide?
2-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide has a molecular weight of 510.98 g/mol, XLogP of 6.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 20694834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).