1-cyclohexyl-N-(4-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carboxamide

C21H22FN3O3S — CID 110166636

IUPAC1-cyclohexyl-N-(4-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NS(=O)(=O)c3ccc(F)cc3)ccc2n1C1CCCCC1
InChIInChI=1S/C21H22FN3O3S/c1-14-23-19-13-15(7-12-20(19)25(14)17-5-3-2-4-6-17)21(26)24-29(27,28)18-10-8-16(22)9-11-18/h7-13,17H,2-6H2,1H3,(H,24,26)
InChIKeyXLVKMSTYTKDGJO-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.11
Rot. Bonds4

About 1-cyclohexyl-N-(4-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carboxamide

1-cyclohexyl-N-(4-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carboxamide (PubChem CID 110166636) has the molecular formula C21H22FN3O3S and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-cyclohexyl-N-(4-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(4-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carboxamide
PubChem CID110166636
Molecular FormulaC21H22FN3O3S
Molecular Weight415.49 g/mol
Exact Mass415.14
IUPAC Name1-cyclohexyl-N-(4-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NS(=O)(=O)c3ccc(F)cc3)ccc2n1C1CCCCC1
InChIInChI=1S/C21H22FN3O3S/c1-14-23-19-13-15(7-12-20(19)25(14)17-5-3-2-4-6-17)21(26)24-29(27,28)18-10-8-16(22)9-11-18/h7-13,17H,2-6H2,1H3,(H,24,26)
InChIKeyXLVKMSTYTKDGJO-UHFFFAOYSA-N
XLogP4.11
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)sulfonyl-1-cyclohexyl-2-methylbenzimidazole-5-carboxamide
CID 110166903
N-(4-chlorophenyl)sulfonyl-1-cyclohexyl-2-methylbenzimidazole-5-carboxamide
CID 110166680
1-cyclobutyl-5-fluoro-2-methylbenzimidazole
CID 139518340
1-cyclopropyl-2-methylbenzimidazole-5-carboxamide
CID 82492875
(1-cyclopentyl-2-methylbenzimidazol-5-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 71305225
2-methyl-1-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid
CID 43322927
1-cyclohexyl-2-(furan-3-yl)-N-methylbenzimidazole-5-carboxamide
CID 23378171
1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-3-(methylamino)propan-1-one
CID 96677057
N-(1-cyclohexyl-5-fluorobenzimidazol-2-yl)-3-(trifluoromethyl)benzamide
CID 138656728
1-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-5-methylsulfonylbenzimidazole
CID 53260883
3-N,5-N-bis[(4-fluorophenyl)sulfonyl]pyridine-3,5-dicarboxamide
CID 57399860
1-(1-cyclopentyl-2-methylbenzimidazol-5-yl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 20888002

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(4-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carboxamide?
The IUPAC name of 1-cyclohexyl-N-(4-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carboxamide (CID 110166636) is 1-cyclohexyl-N-(4-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-(4-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-(4-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carboxamide is Cc1nc2cc(C(=O)NS(=O)(=O)c3ccc(F)cc3)ccc2n1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(4-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carboxamide?
The InChIKey is XLVKMSTYTKDGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S/c1-14-23-19-13-15(7-12-20(19)25(14)17-5-3-2-4-6-17)21(26)24-29(27,28)18-10-8-16(22)9-11-18/h7-13,17H,2-6H2,1H3,(H,24,26).
What are the key properties of 1-cyclohexyl-N-(4-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carboxamide?
1-cyclohexyl-N-(4-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(4-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 110166636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).