3-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-5-methylbenzamide

C29H23ClN4O3 — CID 20694858

IUPAC3-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-5-methylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)c5cc(C)cc(Cl)c5)cc4)[nH]c3c2)cc1
InChIInChI=1S/C29H23ClN4O3/c1-17-13-20(15-21(30)14-17)29(36)31-22-7-3-18(4-8-22)27-33-25-12-9-23(16-26(25)34-27)32-28(35)19-5-10-24(37-2)11-6-19/h3-16H,1-2H3,(H,31,36)(H,32,35)(H,33,34)
InChIKeyORHAKZHOZQHDFH-UHFFFAOYSA-N
MW510.98 g/mol
LogP6.70
Rot. Bonds6

About 3-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-5-methylbenzamide

3-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-5-methylbenzamide (PubChem CID 20694858) has the molecular formula C29H23ClN4O3 and a molecular weight of 510.98 g/mol. Its IUPAC name is 3-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-5-methylbenzamide
PubChem CID20694858
Molecular FormulaC29H23ClN4O3
Molecular Weight510.98 g/mol
Exact Mass510.15
IUPAC Name3-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-5-methylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)c5cc(C)cc(Cl)c5)cc4)[nH]c3c2)cc1
InChIInChI=1S/C29H23ClN4O3/c1-17-13-20(15-21(30)14-17)29(36)31-22-7-3-18(4-8-22)27-33-25-12-9-23(16-26(25)34-27)32-28(35)19-5-10-24(37-2)11-6-19/h3-16H,1-2H3,(H,31,36)(H,32,35)(H,33,34)
InChIKeyORHAKZHOZQHDFH-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
2-(4-{[1-(4-Chlorobenzyl)piperidin-4-Yl]methoxy}phenyl)-1h-Benzimidazole-5-Carboxamide
CID 11518511
N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 44565645
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-4-methoxybenzamide
CID 25190504
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-chloro-2-methoxybenzamide
CID 1367400
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-(4-Carbamoyl-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 9947651
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
2-(4-(2-(1-(4-chlorobenzyl)piperidin-4-yl)ethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11511483

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-5-methylbenzamide?
The IUPAC name of 3-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-5-methylbenzamide (CID 20694858) is 3-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-5-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-5-methylbenzamide?
The canonical SMILES for 3-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-5-methylbenzamide is COc1ccc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)c5cc(C)cc(Cl)c5)cc4)[nH]c3c2)cc1.
What is the InChIKey of 3-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-5-methylbenzamide?
The InChIKey is ORHAKZHOZQHDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClN4O3/c1-17-13-20(15-21(30)14-17)29(36)31-22-7-3-18(4-8-22)27-33-25-12-9-23(16-26(25)34-27)32-28(35)19-5-10-24(37-2)11-6-19/h3-16H,1-2H3,(H,31,36)(H,32,35)(H,33,34).
What are the key properties of 3-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-5-methylbenzamide?
3-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-5-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 3-chloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-5-methylbenzamide is sourced from PubChem (CID 20694858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).