N-(3-chloro-2-methylphenyl)-2-cyclopropyl-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide

C25H19Cl3N4O2 — CID 90229295

IUPACN-(3-chloro-2-methylphenyl)-2-cyclopropyl-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2cc(Cl)ccc2Cl)cc2[nH]c(C3CC3)nc12
InChIInChI=1S/C25H19Cl3N4O2/c1-12-18(27)3-2-4-20(12)31-25(34)17-10-15(11-21-22(17)32-23(30-21)13-5-6-13)29-24(33)16-9-14(26)7-8-19(16)28/h2-4,7-11,13H,5-6H2,1H3,(H,29,33)(H,30,32)(H,31,34)
InChIKeyMYZQIIXFEXVKPT-UHFFFAOYSA-N
MW513.81 g/mol
LogP7.21
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-cyclopropyl-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide

N-(3-chloro-2-methylphenyl)-2-cyclopropyl-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide (PubChem CID 90229295) has the molecular formula C25H19Cl3N4O2 and a molecular weight of 513.81 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-cyclopropyl-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-cyclopropyl-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide
PubChem CID90229295
Molecular FormulaC25H19Cl3N4O2
Molecular Weight513.81 g/mol
Exact Mass512.06
IUPAC NameN-(3-chloro-2-methylphenyl)-2-cyclopropyl-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2cc(Cl)ccc2Cl)cc2[nH]c(C3CC3)nc12
InChIInChI=1S/C25H19Cl3N4O2/c1-12-18(27)3-2-4-20(12)31-25(34)17-10-15(11-21-22(17)32-23(30-21)13-5-6-13)29-24(33)16-9-14(26)7-8-19(16)28/h2-4,7-11,13H,5-6H2,1H3,(H,29,33)(H,30,32)(H,31,34)
InChIKeyMYZQIIXFEXVKPT-UHFFFAOYSA-N
XLogP7.21
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.81
LogP ≤ 57.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide
CID 90230053
N-(3-chloro-2-methylphenyl)-2-cyclopentyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71267558
tert-butyl 3-[4-[(3-chloro-2-methylphenyl)carbamoyl]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazol-2-yl]azetidine-1-carboxylate
CID 71532467
2-tert-butyl-N-(3-chloro-2-methylphenyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 90229480
6-[(5-butoxy-2-chlorobenzoyl)amino]-N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
CID 71267459
N-(3-chloro-2-methylphenyl)-2-pyrrolidin-1-yl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 90243704
N-(3-chloro-4-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]-2-(dimethylamino)-1H-benzimidazole-4-carboxamide
CID 71267454
N-(3-chloro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 78058173
N-(3-chloro-2-methylphenyl)-2-(3-hydroxyazetidin-1-yl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride
CID 90229539
N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-6-[[2-methyl-4-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride
CID 157186053
1-butyl-N-(3-chloro-2-methylphenyl)-6-[(2,5-dichlorobenzoyl)amino]benzimidazole-4-carboxamide;hydrochloride
CID 174722776
N-(3-chloro-2-methylphenyl)-2-(1-methylcyclopropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;toluene
CID 156540571

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-cyclopropyl-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-cyclopropyl-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide (CID 90229295) is N-(3-chloro-2-methylphenyl)-2-cyclopropyl-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-cyclopropyl-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-cyclopropyl-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2cc(Cl)ccc2Cl)cc2[nH]c(C3CC3)nc12.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-cyclopropyl-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide?
The InChIKey is MYZQIIXFEXVKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl3N4O2/c1-12-18(27)3-2-4-20(12)31-25(34)17-10-15(11-21-22(17)32-23(30-21)13-5-6-13)29-24(33)16-9-14(26)7-8-19(16)28/h2-4,7-11,13H,5-6H2,1H3,(H,29,33)(H,30,32)(H,31,34).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-cyclopropyl-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide?
N-(3-chloro-2-methylphenyl)-2-cyclopropyl-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide has a molecular weight of 513.81 g/mol, XLogP of 7.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-cyclopropyl-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 90229295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).