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

C22H21Cl2F3N4O2 — CID 142762175

IUPAC2-(2,6-dichloroanilino)-6-methoxy-1-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
SMILESCOc1cc2c(cc1C(N)=O)nc(Nc1c(Cl)cccc1Cl)n2C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C22H21Cl2F3N4O2/c1-33-18-10-17-16(9-13(18)20(28)32)29-21(30-19-14(23)3-2-4-15(19)24)31(17)12-7-5-11(6-8-12)22(25,26)27/h2-4,9-12H,5-8H2,1H3,(H2,28,32)(H,29,30)
InChIKeyFBJXLJMWQVAHGV-UHFFFAOYSA-N
MW501.34 g/mol
LogP6.49
Rot. Bonds5

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

2-(2,6-dichloroanilino)-6-methoxy-1-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide (PubChem CID 142762175) has the molecular formula C22H21Cl2F3N4O2 and a molecular weight of 501.34 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-6-methoxy-1-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-6-methoxy-1-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
PubChem CID142762175
Molecular FormulaC22H21Cl2F3N4O2
Molecular Weight501.34 g/mol
Exact Mass500.10
IUPAC Name2-(2,6-dichloroanilino)-6-methoxy-1-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
SMILESCOc1cc2c(cc1C(N)=O)nc(Nc1c(Cl)cccc1Cl)n2C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C22H21Cl2F3N4O2/c1-33-18-10-17-16(9-13(18)20(28)32)29-21(30-19-14(23)3-2-4-15(19)24)31(17)12-7-5-11(6-8-12)22(25,26)27/h2-4,9-12H,5-8H2,1H3,(H2,28,32)(H,29,30)
InChIKeyFBJXLJMWQVAHGV-UHFFFAOYSA-N
XLogP6.49
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.34
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,6-dichloroanilino)-6-methoxy-1-[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

Vipoglanstat
CID 56649447
mPGES1-IN-3
CID 71766070
N-(3-Chloro-4-fluoro-phenyl)-2-{2,6-dichloro-3-[(2,2-dimethyl-propionylamino)-methyl]-phenylamino}-6-(2-fluoroethoxy)-1-methyl-1H-benzimidazole-5-carboxylic acid amide
CID 86669641
2-[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]-N-(cyclopropylmethyl)-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide
CID 46908258
4-{5-[(1-Methylpiperidin-4-YL)oxy]-1H-benzimidazol-1-YL}-2-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}benzamide
CID 50990894
KSP Inhibitor, 4g
CID 25164869
2-(3-chlorobenzamido)-N-(3-methoxybenzyl)-1-(3-methoxypropyl)-1H-benzo[d]imidazole-5-carboxamide
CID 24779894
N-(4-Bromo-phenyl)-2-(2-chloro-5-{[(tert-butylcarbonyl)-amino]-methyl}-phenylamino)-6-(2,2-difluoro-ethoxy)-1-methyl-1H-benzimidazole-5-carboxylic acid amide
CID 46908736
N-(4-chloro-2-fluorophenyl)-2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide
CID 56837793
N-Cyclohexyl-2-[(2,6-dichlorophenyl)amino]-7-methyl-1H-furo[3,2-e]benzimidazole-5-carboxamide
CID 56968482
2-(2,6-dichloroanilino)-N-(6-methoxy-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 56969153
N-(cyclopentylmethyl)-2-(2,6-dichloroanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 56969373

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-6-methoxy-1-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-6-methoxy-1-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide (CID 142762175) is 2-(2,6-dichloroanilino)-6-methoxy-1-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-6-methoxy-1-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-6-methoxy-1-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide is COc1cc2c(cc1C(N)=O)nc(Nc1c(Cl)cccc1Cl)n2C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-(2,6-dichloroanilino)-6-methoxy-1-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide?
The InChIKey is FBJXLJMWQVAHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2F3N4O2/c1-33-18-10-17-16(9-13(18)20(28)32)29-21(30-19-14(23)3-2-4-15(19)24)31(17)12-7-5-11(6-8-12)22(25,26)27/h2-4,9-12H,5-8H2,1H3,(H2,28,32)(H,29,30).
What are the key properties of 2-(2,6-dichloroanilino)-6-methoxy-1-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide?
2-(2,6-dichloroanilino)-6-methoxy-1-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide has a molecular weight of 501.34 g/mol, XLogP of 6.49, 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-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 142762175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).