1-[(3-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide

C19H20FN3O3S — CID 135205441

IUPAC1-[(3-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(Cc2cccc(F)c2)c2ccc(S(=O)(=O)NC3(C)CC3)cc21
InChIInChI=1S/C19H20FN3O3S/c1-19(8-9-19)21-27(25,26)15-6-7-16-17(11-15)22(2)18(24)23(16)12-13-4-3-5-14(20)10-13/h3-7,10-11,21H,8-9,12H2,1-2H3
InChIKeyWNXVOYHGKKHVSE-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.36
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide

1-[(3-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide (PubChem CID 135205441) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
PubChem CID135205441
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name1-[(3-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(Cc2cccc(F)c2)c2ccc(S(=O)(=O)NC3(C)CC3)cc21
InChIInChI=1S/C19H20FN3O3S/c1-19(8-9-19)21-27(25,26)15-6-7-16-17(11-15)22(2)18(24)23(16)12-13-4-3-5-14(20)10-13/h3-7,10-11,21H,8-9,12H2,1-2H3
InChIKeyWNXVOYHGKKHVSE-UHFFFAOYSA-N
XLogP2.36
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,1,3,6-tetramethyl-2-oxo-N-phenyl-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 5300967
N-(3,4-dimethylphenyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 2990488
2,3-Dihydro-2-oxo-1-propyl-1H-benzimidazole-5-sulfonamide
CID 28819101
N-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 53092093
N-octyl-5-(phenylsulfamoyl)-2,3-dihydro-1H-indole-1-carboxamide
CID 44298731
N-(2,4-dimethylphenyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 3152215
1,3-dimethyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 974153
5-(3,4-dihydro-1(2H)-quinolinylsulfonyl)-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
CID 1247966
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886452
N-(2-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372092
N-(4-ethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372094
N-(2-ethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372217

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide (CID 135205441) is 1-[(3-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide is Cn1c(=O)n(Cc2cccc(F)c2)c2ccc(S(=O)(=O)NC3(C)CC3)cc21.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is WNXVOYHGKKHVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-19(8-9-19)21-27(25,26)15-6-7-16-17(11-15)22(2)18(24)23(16)12-13-4-3-5-14(20)10-13/h3-7,10-11,21H,8-9,12H2,1-2H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide?
1-[(3-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 389.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 135205441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).