N-(3-chloro-2-methylphenyl)-2-cyclopentyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide

C28H24ClF3N4O2 — CID 71267558

IUPACN-(3-chloro-2-methylphenyl)-2-cyclopentyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(C3CCCC3)nc12
InChIInChI=1S/C28H24ClF3N4O2/c1-15-21(29)11-6-12-22(15)35-27(38)19-13-17(14-23-24(19)36-25(34-23)16-7-2-3-8-16)33-26(37)18-9-4-5-10-20(18)28(30,31)32/h4-6,9-14,16H,2-3,7-8H2,1H3,(H,33,37)(H,34,36)(H,35,38)
InChIKeyCXRJHASYZPXNEG-UHFFFAOYSA-N
MW540.97 g/mol
LogP7.71
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-cyclopentyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide

N-(3-chloro-2-methylphenyl)-2-cyclopentyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide (PubChem CID 71267558) has the molecular formula C28H24ClF3N4O2 and a molecular weight of 540.97 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-cyclopentyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-cyclopentyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
PubChem CID71267558
Molecular FormulaC28H24ClF3N4O2
Molecular Weight540.97 g/mol
Exact Mass540.15
IUPAC NameN-(3-chloro-2-methylphenyl)-2-cyclopentyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(C3CCCC3)nc12
InChIInChI=1S/C28H24ClF3N4O2/c1-15-21(29)11-6-12-22(15)35-27(38)19-13-17(14-23-24(19)36-25(34-23)16-7-2-3-8-16)33-26(37)18-9-4-5-10-20(18)28(30,31)32/h4-6,9-14,16H,2-3,7-8H2,1H3,(H,33,37)(H,34,36)(H,35,38)
InChIKeyCXRJHASYZPXNEG-UHFFFAOYSA-N
XLogP7.71
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.97
LogP ≤ 57.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-2-methylphenyl)-2-cyclopentyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-(3-chloro-2-methylphenyl)-2-pyrrolidin-1-yl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 90243704
N-(3-chloro-2-methylphenyl)-2-cyclopropyl-6-[(2,5-dichlorobenzoyl)amino]-1H-benzimidazole-4-carboxamide
CID 90229295
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-(3-hydroxypyrrolidin-1-yl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 78058173
N-(3-chloro-2-methylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride
CID 90229597
N-(3-chloro-2-methylphenyl)-2-(1-methylcyclopropyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;toluene
CID 156540571
2-[bis(2-hydroxyethyl)amino]-N-(3-chloro-2-methylphenyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride
CID 90314116
N-(3-chloro-2-methylphenyl)-2-[(2-methoxy-2-methylpropyl)amino]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride
CID 90229528
N-(3-chloro-2-methylphenyl)-2-[2-(dimethylamino)ethylamino]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride
CID 90229338
N-(3-chloro-2-methylphenyl)-2-(2-propan-2-yloxyethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71267506

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-cyclopentyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-cyclopentyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide (CID 71267558) is N-(3-chloro-2-methylphenyl)-2-cyclopentyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-cyclopentyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-cyclopentyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(C3CCCC3)nc12.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-cyclopentyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
The InChIKey is CXRJHASYZPXNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClF3N4O2/c1-15-21(29)11-6-12-22(15)35-27(38)19-13-17(14-23-24(19)36-25(34-23)16-7-2-3-8-16)33-26(37)18-9-4-5-10-20(18)28(30,31)32/h4-6,9-14,16H,2-3,7-8H2,1H3,(H,33,37)(H,34,36)(H,35,38).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-cyclopentyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
N-(3-chloro-2-methylphenyl)-2-cyclopentyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide has a molecular weight of 540.97 g/mol, XLogP of 7.71, 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-cyclopentyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 71267558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).