2-(2,6-dichloroanilino)-6-methoxy-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide

C23H23Cl2F3N4O2 — CID 58562391

IUPAC2-(2,6-dichloroanilino)-6-methoxy-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
SMILESCOc1cc2c(cc1C(=O)NC1CCC(C(F)(F)F)CC1)nc(Nc1c(Cl)cccc1Cl)n2C
InChIInChI=1S/C23H23Cl2F3N4O2/c1-32-18-11-19(34-2)14(21(33)29-13-8-6-12(7-9-13)23(26,27)28)10-17(18)30-22(32)31-20-15(24)4-3-5-16(20)25/h3-5,10-13H,6-9H2,1-2H3,(H,29,33)(H,30,31)
InChIKeyQGFXEHVGWHZGGB-UHFFFAOYSA-N
MW515.36 g/mol
LogP6.48
Rot. Bonds5

About 2-(2,6-dichloroanilino)-6-methoxy-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide

2-(2,6-dichloroanilino)-6-methoxy-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide (PubChem CID 58562391) has the molecular formula C23H23Cl2F3N4O2 and a molecular weight of 515.36 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-6-methoxy-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-6-methoxy-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
PubChem CID58562391
Molecular FormulaC23H23Cl2F3N4O2
Molecular Weight515.36 g/mol
Exact Mass514.12
IUPAC Name2-(2,6-dichloroanilino)-6-methoxy-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
SMILESCOc1cc2c(cc1C(=O)NC1CCC(C(F)(F)F)CC1)nc(Nc1c(Cl)cccc1Cl)n2C
InChIInChI=1S/C23H23Cl2F3N4O2/c1-32-18-11-19(34-2)14(21(33)29-13-8-6-12(7-9-13)23(26,27)28)10-17(18)30-22(32)31-20-15(24)4-3-5-16(20)25/h3-5,10-13H,6-9H2,1-2H3,(H,29,33)(H,30,31)
InChIKeyQGFXEHVGWHZGGB-UHFFFAOYSA-N
XLogP6.48
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.36
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,6-dichloroanilino)-6-methoxy-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]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

2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 45137757
2-(2-chloro-6-fluoroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-c]pyridine-6-carboxamide
CID 45137819
2-(2,6-dichloroanilino)-N-(4-ethylcyclohexyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide
CID 58562120
tert-butyl N-[[3-[[6-methoxy-1-methyl-5-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]benzimidazol-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]carbamate
CID 167166515
2-[2,6-dichloro-3-[[(2-fluoro-2-methylpropanoyl)amino]methyl]anilino]-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]-6-[4-(trifluoromethyl)piperidin-1-yl]benzimidazole-5-carboxamide
CID 88539190
2-[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]anilino]-6-(2-fluoroethoxy)-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 46909124
2-(2-chloro-5-cyano-4-fluoroanilino)-6-(2,2-difluoroethoxy)-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 59529817
4-amino-5-chloro-2-methoxy-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 119701825
6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-[2,6-dichloro-3-[[(2-methoxypyridine-4-carbonyl)amino]methyl]anilino]-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 67978872
6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-[2,6-dichloro-3-[(2-hydroxypropanoylamino)methyl]anilino]-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 123792307
6-[cyclobutyl(methyl)amino]-2-[2,6-dichloro-3-[(2,2-dimethylpropylamino)methyl]anilino]-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 123224034
N-cyclohexyl-2-(2,6-dichloroanilino)-3-methylimidazo[4,5-c]pyridine-6-carboxamide
CID 45138122

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-6-methoxy-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-6-methoxy-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide (CID 58562391) is 2-(2,6-dichloroanilino)-6-methoxy-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-6-methoxy-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-6-methoxy-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide is COc1cc2c(cc1C(=O)NC1CCC(C(F)(F)F)CC1)nc(Nc1c(Cl)cccc1Cl)n2C.
What is the InChIKey of 2-(2,6-dichloroanilino)-6-methoxy-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide?
The InChIKey is QGFXEHVGWHZGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2F3N4O2/c1-32-18-11-19(34-2)14(21(33)29-13-8-6-12(7-9-13)23(26,27)28)10-17(18)30-22(32)31-20-15(24)4-3-5-16(20)25/h3-5,10-13H,6-9H2,1-2H3,(H,29,33)(H,30,31).
What are the key properties of 2-(2,6-dichloroanilino)-6-methoxy-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide?
2-(2,6-dichloroanilino)-6-methoxy-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide has a molecular weight of 515.36 g/mol, XLogP of 6.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-6-methoxy-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 58562391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).