3,5-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide

C28H20Cl2N4O3 — CID 20694842

IUPAC3,5-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5cc(Cl)cc(Cl)c5)cc4[nH]3)cc2)cc1
InChIInChI=1S/C28H20Cl2N4O3/c1-37-23-9-4-17(5-10-23)27(35)31-21-6-2-16(3-7-21)26-33-24-11-8-22(15-25(24)34-26)32-28(36)18-12-19(29)14-20(30)13-18/h2-15H,1H3,(H,31,35)(H,32,36)(H,33,34)
InChIKeyUFFOOCQYSBWYCY-UHFFFAOYSA-N
MW531.40 g/mol
LogP7.05
Rot. Bonds6

About 3,5-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide

3,5-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide (PubChem CID 20694842) has the molecular formula C28H20Cl2N4O3 and a molecular weight of 531.40 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide
PubChem CID20694842
Molecular FormulaC28H20Cl2N4O3
Molecular Weight531.40 g/mol
Exact Mass530.09
IUPAC Name3,5-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5cc(Cl)cc(Cl)c5)cc4[nH]3)cc2)cc1
InChIInChI=1S/C28H20Cl2N4O3/c1-37-23-9-4-17(5-10-23)27(35)31-21-6-2-16(3-7-21)26-33-24-11-8-22(15-25(24)34-26)32-28(36)18-12-19(29)14-20(30)13-18/h2-15H,1H3,(H,31,35)(H,32,36)(H,33,34)
InChIKeyUFFOOCQYSBWYCY-UHFFFAOYSA-N
XLogP7.05
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.40
LogP ≤ 57.05
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-(3,4-Dichloro-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10222496
2-[4-(3-Chloro-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10292206

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 3,5-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide (CID 20694842) is 3,5-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide is COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5cc(Cl)cc(Cl)c5)cc4[nH]3)cc2)cc1.
What is the InChIKey of 3,5-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide?
The InChIKey is UFFOOCQYSBWYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl2N4O3/c1-37-23-9-4-17(5-10-23)27(35)31-21-6-2-16(3-7-21)26-33-24-11-8-22(15-25(24)34-26)32-28(36)18-12-19(29)14-20(30)13-18/h2-15H,1H3,(H,31,35)(H,32,36)(H,33,34).
What are the key properties of 3,5-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide?
3,5-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide has a molecular weight of 531.40 g/mol, XLogP of 7.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 20694842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).