2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)cyclohexyl]-3H-benzimidazole-5-carboxamide

C21H19Cl2F3N4O — CID 45137916

IUPAC2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)cyclohexyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCC(C(F)(F)F)CC1)c1ccc2nc(Nc3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C21H19Cl2F3N4O/c22-14-2-1-3-15(23)18(14)30-20-28-16-9-4-11(10-17(16)29-20)19(31)27-13-7-5-12(6-8-13)21(24,25)26/h1-4,9-10,12-13H,5-8H2,(H,27,31)(H2,28,29,30)
InChIKeyVZVGZSLNBCORGT-UHFFFAOYSA-N
MW471.31 g/mol
LogP6.46
Rot. Bonds4

About 2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)cyclohexyl]-3H-benzimidazole-5-carboxamide

2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)cyclohexyl]-3H-benzimidazole-5-carboxamide (PubChem CID 45137916) has the molecular formula C21H19Cl2F3N4O and a molecular weight of 471.31 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)cyclohexyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)cyclohexyl]-3H-benzimidazole-5-carboxamide
PubChem CID45137916
Molecular FormulaC21H19Cl2F3N4O
Molecular Weight471.31 g/mol
Exact Mass470.09
IUPAC Name2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)cyclohexyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCC(C(F)(F)F)CC1)c1ccc2nc(Nc3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C21H19Cl2F3N4O/c22-14-2-1-3-15(23)18(14)30-20-28-16-9-4-11(10-17(16)29-20)19(31)27-13-7-5-12(6-8-13)21(24,25)26/h1-4,9-10,12-13H,5-8H2,(H,27,31)(H2,28,29,30)
InChIKeyVZVGZSLNBCORGT-UHFFFAOYSA-N
XLogP6.46
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.31
LogP ≤ 56.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)cyclohexyl]-3H-benzimidazole-5-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

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 87318781
N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluoroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide
CID 58562268
2-(2,6-dichloroanilino)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-3H-benzimidazole-5-carboxamide
CID 67231867
N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide;cyclobutanamine
CID 143961942
N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 45138811
2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 45137757
2-(2,6-dichloro-3-methylanilino)-5-(4-fluoropiperidin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 88538418
N-(4-hydroxycyclohexyl)-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]-3H-benzimidazole-5-carboxamide
CID 123696153
3-N-cyclopropyl-1-N-(2,6-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109050846
2-[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]-N-(4,4-difluorocyclohexyl)-3H-benzimidazole-5-carboxamide
CID 89035301
methyl 3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]benzoate
CID 47048188
2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 87422331

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)cyclohexyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)cyclohexyl]-3H-benzimidazole-5-carboxamide (CID 45137916) is 2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)cyclohexyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)cyclohexyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)cyclohexyl]-3H-benzimidazole-5-carboxamide is O=C(NC1CCC(C(F)(F)F)CC1)c1ccc2nc(Nc3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of 2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)cyclohexyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is VZVGZSLNBCORGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2F3N4O/c22-14-2-1-3-15(23)18(14)30-20-28-16-9-4-11(10-17(16)29-20)19(31)27-13-7-5-12(6-8-13)21(24,25)26/h1-4,9-10,12-13H,5-8H2,(H,27,31)(H2,28,29,30).
What are the key properties of 2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)cyclohexyl]-3H-benzimidazole-5-carboxamide?
2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)cyclohexyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 471.31 g/mol, XLogP of 6.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)cyclohexyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 45137916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).