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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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).