2,6-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide

C28H20Cl2N4O3 — CID 20694817

IUPAC2,6-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5c(Cl)cccc5Cl)cc4[nH]3)cc2)cc1
InChIInChI=1S/C28H20Cl2N4O3/c1-37-20-12-7-17(8-13-20)27(35)31-18-9-5-16(6-10-18)26-33-23-14-11-19(15-24(23)34-26)32-28(36)25-21(29)3-2-4-22(25)30/h2-15H,1H3,(H,31,35)(H,32,36)(H,33,34)
InChIKeyPBJOGQCPIMDELT-UHFFFAOYSA-N
MW531.40 g/mol
LogP7.05
Rot. Bonds6

About 2,6-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide

2,6-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide (PubChem CID 20694817) has the molecular formula C28H20Cl2N4O3 and a molecular weight of 531.40 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide
PubChem CID20694817
Molecular FormulaC28H20Cl2N4O3
Molecular Weight531.40 g/mol
Exact Mass530.09
IUPAC Name2,6-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5c(Cl)cccc5Cl)cc4[nH]3)cc2)cc1
InChIInChI=1S/C28H20Cl2N4O3/c1-37-20-12-7-17(8-13-20)27(35)31-18-9-5-16(6-10-18)26-33-23-14-11-19(15-24(23)34-26)32-28(36)25-21(29)3-2-4-22(25)30/h2-15H,1H3,(H,31,35)(H,32,36)(H,33,34)
InChIKeyPBJOGQCPIMDELT-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
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
2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 25235767

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide (CID 20694817) is 2,6-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide is COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5c(Cl)cccc5Cl)cc4[nH]3)cc2)cc1.
What is the InChIKey of 2,6-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide?
The InChIKey is PBJOGQCPIMDELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl2N4O3/c1-37-20-12-7-17(8-13-20)27(35)31-18-9-5-16(6-10-18)26-33-23-14-11-19(15-24(23)34-26)32-28(36)25-21(29)3-2-4-22(25)30/h2-15H,1H3,(H,31,35)(H,32,36)(H,33,34).
What are the key properties of 2,6-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide?
2,6-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 2,6-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 20694817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).