1-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2,3-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide

C26H23Cl2N3O3 — CID 16679627

IUPAC1-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2,3-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3c(c2)nc(-c2ccc(Cl)c(Cl)c2)n3C2CC2)c1OC
InChIInChI=1S/C26H23Cl2N3O3/c1-33-23-5-3-4-17(24(23)34-2)14-29-26(32)16-7-11-22-21(13-16)30-25(31(22)18-8-9-18)15-6-10-19(27)20(28)12-15/h3-7,10-13,18H,8-9,14H2,1-2H3,(H,29,32)
InChIKeyRXEJYMJTOWHNLA-UHFFFAOYSA-N
MW496.39 g/mol
LogP6.29
Rot. Bonds7

About 1-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2,3-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide

1-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2,3-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide (PubChem CID 16679627) has the molecular formula C26H23Cl2N3O3 and a molecular weight of 496.39 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2,3-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2,3-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide
PubChem CID16679627
Molecular FormulaC26H23Cl2N3O3
Molecular Weight496.39 g/mol
Exact Mass495.11
IUPAC Name1-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2,3-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3c(c2)nc(-c2ccc(Cl)c(Cl)c2)n3C2CC2)c1OC
InChIInChI=1S/C26H23Cl2N3O3/c1-33-23-5-3-4-17(24(23)34-2)14-29-26(32)16-7-11-22-21(13-16)30-25(31(22)18-8-9-18)15-6-10-19(27)20(28)12-15/h3-7,10-13,18H,8-9,14H2,1-2H3,(H,29,32)
InChIKeyRXEJYMJTOWHNLA-UHFFFAOYSA-N
XLogP6.29
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.39
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-2-(3,4-dichlorophenyl)-N-[(2,3-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 16679436
N-[(2,3-dimethoxyphenyl)methyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
CID 53058261
1-cyclopentyl-2-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid
CID 23515648
N-[(2,3-dimethoxyphenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide
CID 22588087
N-[(2-bromophenyl)methyl]-1-butyl-2-(3,4-dichlorophenyl)benzimidazole-5-carboxamide
CID 16678428
4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylsulfamoyl)benzamide
CID 55595810
3,4-dichloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9246284
N-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 46590512
3-benzamido-N-[(2,3-dimethoxyphenyl)methyl]-4-methylbenzamide
CID 46410283
N-[(2,3-dimethoxyphenyl)methyl]-4-(2-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53148456
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 46653202

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2,3-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2,3-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide (CID 16679627) is 1-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2,3-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2,3-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2,3-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide is COc1cccc(CNC(=O)c2ccc3c(c2)nc(-c2ccc(Cl)c(Cl)c2)n3C2CC2)c1OC.
What is the InChIKey of 1-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2,3-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide?
The InChIKey is RXEJYMJTOWHNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N3O3/c1-33-23-5-3-4-17(24(23)34-2)14-29-26(32)16-7-11-22-21(13-16)30-25(31(22)18-8-9-18)15-6-10-19(27)20(28)12-15/h3-7,10-13,18H,8-9,14H2,1-2H3,(H,29,32).
What are the key properties of 1-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2,3-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide?
1-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2,3-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide has a molecular weight of 496.39 g/mol, XLogP of 6.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2,3-dimethoxyphenyl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 16679627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).