2-(2,6-dichloroanilino)-N-(4-ethylcyclohexyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide

C23H25Cl2FN4O — CID 58562120

IUPAC2-(2,6-dichloroanilino)-N-(4-ethylcyclohexyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide
SMILESCCC1CCC(NC(=O)c2cc3nc(Nc4c(Cl)cccc4Cl)n(C)c3cc2F)CC1
InChIInChI=1S/C23H25Cl2FN4O/c1-3-13-7-9-14(10-8-13)27-22(31)15-11-19-20(12-18(15)26)30(2)23(28-19)29-21-16(24)5-4-6-17(21)25/h4-6,11-14H,3,7-10H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyLLVZGKIDVRFGRH-UHFFFAOYSA-N
MW463.38 g/mol
LogP6.46
Rot. Bonds5

About 2-(2,6-dichloroanilino)-N-(4-ethylcyclohexyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide

2-(2,6-dichloroanilino)-N-(4-ethylcyclohexyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide (PubChem CID 58562120) has the molecular formula C23H25Cl2FN4O and a molecular weight of 463.38 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-N-(4-ethylcyclohexyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-N-(4-ethylcyclohexyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide
PubChem CID58562120
Molecular FormulaC23H25Cl2FN4O
Molecular Weight463.38 g/mol
Exact Mass462.14
IUPAC Name2-(2,6-dichloroanilino)-N-(4-ethylcyclohexyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide
SMILESCCC1CCC(NC(=O)c2cc3nc(Nc4c(Cl)cccc4Cl)n(C)c3cc2F)CC1
InChIInChI=1S/C23H25Cl2FN4O/c1-3-13-7-9-14(10-8-13)27-22(31)15-11-19-20(12-18(15)26)30(2)23(28-19)29-21-16(24)5-4-6-17(21)25/h4-6,11-14H,3,7-10H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyLLVZGKIDVRFGRH-UHFFFAOYSA-N
XLogP6.46
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.38
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 45137757
2-(2,6-dichloroanilino)-6-methoxy-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 58562391
2-(2,6-dichloroanilino)-6-fluoro-N-hexan-2-yl-1-methylbenzimidazole-5-carboxamide
CID 76831069
5-[(3-cyclopropylpropylamino)methyl]-N-(2,6-dichlorophenyl)-6-fluoro-1-methylbenzimidazol-2-amine
CID 91273545
2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-N-(3,3-difluorocyclobutyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide
CID 56840615
N-cyclohexyl-2-(2,6-dichloroanilino)-3-methylimidazo[4,5-c]pyridine-6-carboxamide
CID 45138122
2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide
CID 45137150
2-(2,6-dichloroanilino)-6-fluoro-N-[(3-methoxy-2-pyridinyl)methyl]-1-methylbenzimidazole-5-carboxamide
CID 58562175
2-(2-chloro-6-fluoroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-c]pyridine-6-carboxamide
CID 45137819
N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluoroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide
CID 58562268
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-[6-chloro-3-[(2,2-dimethylpropanoylamino)methyl]-2-fluoroanilino]-6-(2,2-difluoroethoxy)-N-[4-(difluoromethyl)cyclohexyl]-1-methylbenzimidazole-5-carboxamide
CID 88865644

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-N-(4-ethylcyclohexyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-N-(4-ethylcyclohexyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide (CID 58562120) is 2-(2,6-dichloroanilino)-N-(4-ethylcyclohexyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-N-(4-ethylcyclohexyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-N-(4-ethylcyclohexyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide is CCC1CCC(NC(=O)c2cc3nc(Nc4c(Cl)cccc4Cl)n(C)c3cc2F)CC1.
What is the InChIKey of 2-(2,6-dichloroanilino)-N-(4-ethylcyclohexyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide?
The InChIKey is LLVZGKIDVRFGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2FN4O/c1-3-13-7-9-14(10-8-13)27-22(31)15-11-19-20(12-18(15)26)30(2)23(28-19)29-21-16(24)5-4-6-17(21)25/h4-6,11-14H,3,7-10H2,1-2H3,(H,27,31)(H,28,29).
What are the key properties of 2-(2,6-dichloroanilino)-N-(4-ethylcyclohexyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide?
2-(2,6-dichloroanilino)-N-(4-ethylcyclohexyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide has a molecular weight of 463.38 g/mol, XLogP of 6.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-N-(4-ethylcyclohexyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 58562120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).