N-(5,6-dimethyl-1-propylbenzimidazol-4-yl)-4-methoxybenzenesulfonamide

C19H23N3O3S — CID 1476367

IUPACN-(5,6-dimethyl-1-propylbenzimidazol-4-yl)-4-methoxybenzenesulfonamide
SMILESCCCn1cnc2c(NS(=O)(=O)c3ccc(OC)cc3)c(C)c(C)cc21
InChIInChI=1S/C19H23N3O3S/c1-5-10-22-12-20-19-17(22)11-13(2)14(3)18(19)21-26(23,24)16-8-6-15(25-4)7-9-16/h6-9,11-12,21H,5,10H2,1-4H3
InChIKeyVSBMSVMUGYAIOU-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.87
Rot. Bonds6

About N-(5,6-dimethyl-1-propylbenzimidazol-4-yl)-4-methoxybenzenesulfonamide

N-(5,6-dimethyl-1-propylbenzimidazol-4-yl)-4-methoxybenzenesulfonamide (PubChem CID 1476367) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(5,6-dimethyl-1-propylbenzimidazol-4-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-1-propylbenzimidazol-4-yl)-4-methoxybenzenesulfonamide
PubChem CID1476367
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-(5,6-dimethyl-1-propylbenzimidazol-4-yl)-4-methoxybenzenesulfonamide
SMILESCCCn1cnc2c(NS(=O)(=O)c3ccc(OC)cc3)c(C)c(C)cc21
InChIInChI=1S/C19H23N3O3S/c1-5-10-22-12-20-19-17(22)11-13(2)14(3)18(19)21-26(23,24)16-8-6-15(25-4)7-9-16/h6-9,11-12,21H,5,10H2,1-4H3
InChIKeyVSBMSVMUGYAIOU-UHFFFAOYSA-N
XLogP3.87
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide
CID 1479149
4-tert-butyl-N-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]benzenesulfonamide
CID 1479134
2,4,5-trichloro-N-[1-[(3-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide
CID 3512894
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
4-methoxy-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzenesulfonamide
CID 122302660
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561
2,4,5-trichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide
CID 1474191
methyl 5-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
CID 54295788
N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-4-methoxybenzenesulfonamide
CID 4903236
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide
CID 90516373

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1-propylbenzimidazol-4-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(5,6-dimethyl-1-propylbenzimidazol-4-yl)-4-methoxybenzenesulfonamide (CID 1476367) is N-(5,6-dimethyl-1-propylbenzimidazol-4-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(5,6-dimethyl-1-propylbenzimidazol-4-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(5,6-dimethyl-1-propylbenzimidazol-4-yl)-4-methoxybenzenesulfonamide is CCCn1cnc2c(NS(=O)(=O)c3ccc(OC)cc3)c(C)c(C)cc21.
What is the InChIKey of N-(5,6-dimethyl-1-propylbenzimidazol-4-yl)-4-methoxybenzenesulfonamide?
The InChIKey is VSBMSVMUGYAIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-5-10-22-12-20-19-17(22)11-13(2)14(3)18(19)21-26(23,24)16-8-6-15(25-4)7-9-16/h6-9,11-12,21H,5,10H2,1-4H3.
What are the key properties of N-(5,6-dimethyl-1-propylbenzimidazol-4-yl)-4-methoxybenzenesulfonamide?
N-(5,6-dimethyl-1-propylbenzimidazol-4-yl)-4-methoxybenzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-1-propylbenzimidazol-4-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 1476367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).