N-[2-(5-fluoro-1-methyl-6-phenylbenzimidazol-4-yl)-2-oxoethyl]cyclohexanesulfonamide

C22H24FN3O3S — CID 167674926

IUPACN-[2-(5-fluoro-1-methyl-6-phenylbenzimidazol-4-yl)-2-oxoethyl]cyclohexanesulfonamide
SMILESCn1cnc2c(C(=O)CNS(=O)(=O)C3CCCCC3)c(F)c(-c3ccccc3)cc21
InChIInChI=1S/C22H24FN3O3S/c1-26-14-24-22-18(26)12-17(15-8-4-2-5-9-15)21(23)20(22)19(27)13-25-30(28,29)16-10-6-3-7-11-16/h2,4-5,8-9,12,14,16,25H,3,6-7,10-11,13H2,1H3
InChIKeyHINVQECSQGZDFA-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.81
Rot. Bonds6

About N-[2-(5-fluoro-1-methyl-6-phenylbenzimidazol-4-yl)-2-oxoethyl]cyclohexanesulfonamide

N-[2-(5-fluoro-1-methyl-6-phenylbenzimidazol-4-yl)-2-oxoethyl]cyclohexanesulfonamide (PubChem CID 167674926) has the molecular formula C22H24FN3O3S and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[2-(5-fluoro-1-methyl-6-phenylbenzimidazol-4-yl)-2-oxoethyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1-methyl-6-phenylbenzimidazol-4-yl)-2-oxoethyl]cyclohexanesulfonamide
PubChem CID167674926
Molecular FormulaC22H24FN3O3S
Molecular Weight429.52 g/mol
Exact Mass429.15
IUPAC NameN-[2-(5-fluoro-1-methyl-6-phenylbenzimidazol-4-yl)-2-oxoethyl]cyclohexanesulfonamide
SMILESCn1cnc2c(C(=O)CNS(=O)(=O)C3CCCCC3)c(F)c(-c3ccccc3)cc21
InChIInChI=1S/C22H24FN3O3S/c1-26-14-24-22-18(26)12-17(15-8-4-2-5-9-15)21(23)20(22)19(27)13-25-30(28,29)16-10-6-3-7-11-16/h2,4-5,8-9,12,14,16,25H,3,6-7,10-11,13H2,1H3
InChIKeyHINVQECSQGZDFA-UHFFFAOYSA-N
XLogP3.81
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 10526785
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(6-Fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-piperazin-1-ylethylsulfonyl)indol-3-yl]methanone
CID 162665336
1-(2,4-Dimethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole-5-carboxamide
CID 3647100
N-[2-(dimethylamino)ethyl]-6-(4-fluorophenyl)-3-methylbenzimidazole-4-carboxamide
CID 134809673
6-(4-fluorophenyl)-3-methyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzimidazole-4-carboxamide
CID 134811033
(2-Amino-3-isopropylsulfonyl-benzimidazol-5-yl)-(3-fluorophenyl)methanone
CID 515243
N-(Cyclopropylsulphonyl)-1-[2-(dimethylamino)ethyl]-2-(9-ethyl-9H-carbazol-3-yl)-1H-benzimidazole-5-carboxamide
CID 76282961
N-(4-fluorophenyl)sulfonyl-1-methylbenzimidazole-5-carboxamide
CID 84596903
1-methyl-N-pentan-3-ylsulfonylbenzimidazole-5-carboxamide
CID 84596909
1-methyl-N-(2-methylpropylsulfonyl)benzimidazole-5-carboxamide
CID 84597843
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-fluorophenyl)-3-methylbenzimidazole-4-carboxamide
CID 134808710

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1-methyl-6-phenylbenzimidazol-4-yl)-2-oxoethyl]cyclohexanesulfonamide?
The IUPAC name of N-[2-(5-fluoro-1-methyl-6-phenylbenzimidazol-4-yl)-2-oxoethyl]cyclohexanesulfonamide (CID 167674926) is N-[2-(5-fluoro-1-methyl-6-phenylbenzimidazol-4-yl)-2-oxoethyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[2-(5-fluoro-1-methyl-6-phenylbenzimidazol-4-yl)-2-oxoethyl]cyclohexanesulfonamide?
The canonical SMILES for N-[2-(5-fluoro-1-methyl-6-phenylbenzimidazol-4-yl)-2-oxoethyl]cyclohexanesulfonamide is Cn1cnc2c(C(=O)CNS(=O)(=O)C3CCCCC3)c(F)c(-c3ccccc3)cc21.
What is the InChIKey of N-[2-(5-fluoro-1-methyl-6-phenylbenzimidazol-4-yl)-2-oxoethyl]cyclohexanesulfonamide?
The InChIKey is HINVQECSQGZDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3S/c1-26-14-24-22-18(26)12-17(15-8-4-2-5-9-15)21(23)20(22)19(27)13-25-30(28,29)16-10-6-3-7-11-16/h2,4-5,8-9,12,14,16,25H,3,6-7,10-11,13H2,1H3.
What are the key properties of N-[2-(5-fluoro-1-methyl-6-phenylbenzimidazol-4-yl)-2-oxoethyl]cyclohexanesulfonamide?
N-[2-(5-fluoro-1-methyl-6-phenylbenzimidazol-4-yl)-2-oxoethyl]cyclohexanesulfonamide has a molecular weight of 429.52 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1-methyl-6-phenylbenzimidazol-4-yl)-2-oxoethyl]cyclohexanesulfonamide is sourced from PubChem (CID 167674926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).