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

C22H20Cl2F4N4O — CID 45137757

IUPAC2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
SMILESCn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(F)cc21
InChIInChI=1S/C22H20Cl2F4N4O/c1-32-18-10-16(25)13(20(33)29-12-7-5-11(6-8-12)22(26,27)28)9-17(18)30-21(32)31-19-14(23)3-2-4-15(19)24/h2-4,9-12H,5-8H2,1H3,(H,29,33)(H,30,31)
InChIKeyGSKBJLMZPXGHKO-UHFFFAOYSA-N
MW503.33 g/mol
LogP6.61
Rot. Bonds4

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

2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide (PubChem CID 45137757) has the molecular formula C22H20Cl2F4N4O and a molecular weight of 503.33 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
PubChem CID45137757
Molecular FormulaC22H20Cl2F4N4O
Molecular Weight503.33 g/mol
Exact Mass502.10
IUPAC Name2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
SMILESCn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(F)cc21
InChIInChI=1S/C22H20Cl2F4N4O/c1-32-18-10-16(25)13(20(33)29-12-7-5-11(6-8-12)22(26,27)28)9-17(18)30-21(32)31-19-14(23)3-2-4-15(19)24/h2-4,9-12H,5-8H2,1H3,(H,29,33)(H,30,31)
InChIKeyGSKBJLMZPXGHKO-UHFFFAOYSA-N
XLogP6.61
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.33
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dichloroanilino)-6-methoxy-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 58562391
2-(2,6-dichloroanilino)-N-(4-ethylcyclohexyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide
CID 58562120
2-(2-chloro-6-fluoroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-c]pyridine-6-carboxamide
CID 45137819
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
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
2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide
CID 45137150
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
2-(2,6-dichloroanilino)-6-fluoro-N-hexan-2-yl-1-methylbenzimidazole-5-carboxamide
CID 76831069
2-(2-chloro-5-cyano-4-fluoroanilino)-6-(2,2-difluoroethoxy)-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 59529817
N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluoroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide
CID 58562268
N-cyclohexyl-2-(2,6-dichloroanilino)-3-methylimidazo[4,5-c]pyridine-6-carboxamide
CID 45138122
6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-[2,6-dichloro-3-[[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]methyl]anilino]-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 67978823

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide (CID 45137757) is 2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide is Cn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(F)cc21.
What is the InChIKey of 2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide?
The InChIKey is GSKBJLMZPXGHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2F4N4O/c1-32-18-10-16(25)13(20(33)29-12-7-5-11(6-8-12)22(26,27)28)9-17(18)30-21(32)31-19-14(23)3-2-4-15(19)24/h2-4,9-12H,5-8H2,1H3,(H,29,33)(H,30,31).
What are the key properties of 2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide?
2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide has a molecular weight of 503.33 g/mol, XLogP of 6.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 45137757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).