N-[5,6-dimethyl-1-[(3-methylphenyl)methyl]benzimidazol-4-yl]-4-fluorobenzenesulfonamide

C23H22FN3O2S — CID 1476323

IUPACN-[5,6-dimethyl-1-[(3-methylphenyl)methyl]benzimidazol-4-yl]-4-fluorobenzenesulfonamide
SMILESCc1cccc(Cn2cnc3c(NS(=O)(=O)c4ccc(F)cc4)c(C)c(C)cc32)c1
InChIInChI=1S/C23H22FN3O2S/c1-15-5-4-6-18(11-15)13-27-14-25-23-21(27)12-16(2)17(3)22(23)26-30(28,29)20-9-7-19(24)8-10-20/h4-12,14,26H,13H2,1-3H3
InChIKeySKVSHAMMVRWKNM-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.95
Rot. Bonds5

About N-[5,6-dimethyl-1-[(3-methylphenyl)methyl]benzimidazol-4-yl]-4-fluorobenzenesulfonamide

N-[5,6-dimethyl-1-[(3-methylphenyl)methyl]benzimidazol-4-yl]-4-fluorobenzenesulfonamide (PubChem CID 1476323) has the molecular formula C23H22FN3O2S and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[5,6-dimethyl-1-[(3-methylphenyl)methyl]benzimidazol-4-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5,6-dimethyl-1-[(3-methylphenyl)methyl]benzimidazol-4-yl]-4-fluorobenzenesulfonamide
PubChem CID1476323
Molecular FormulaC23H22FN3O2S
Molecular Weight423.51 g/mol
Exact Mass423.14
IUPAC NameN-[5,6-dimethyl-1-[(3-methylphenyl)methyl]benzimidazol-4-yl]-4-fluorobenzenesulfonamide
SMILESCc1cccc(Cn2cnc3c(NS(=O)(=O)c4ccc(F)cc4)c(C)c(C)cc32)c1
InChIInChI=1S/C23H22FN3O2S/c1-15-5-4-6-18(11-15)13-27-14-25-23-21(27)12-16(2)17(3)22(23)26-30(28,29)20-9-7-19(24)8-10-20/h4-12,14,26H,13H2,1-3H3
InChIKeySKVSHAMMVRWKNM-UHFFFAOYSA-N
XLogP4.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5,6-dimethyl-1-[(3-methylphenyl)methyl]benzimidazol-4-yl]-1,1,1-trifluoromethanesulfonamide
CID 1476366
4-fluoro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide
CID 1474186
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
3,5-dichloro-N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide
CID 1479149
N-(5,6-dimethyl-1-propylbenzimidazol-4-yl)-4-methoxybenzenesulfonamide
CID 1476367
3,5-dichloro-N-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]benzenesulfonamide
CID 1479116
4-fluoro-N-[4-[(3-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982120
1-[(3-methylphenyl)methyl]benzimidazole-4-carboxylic acid
CID 115543177
N-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 1373136
N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22771721
3-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methyl]pyrimido[5,4-b]indol-4-one
CID 53026390

Frequently Asked Questions

What is the IUPAC name of N-[5,6-dimethyl-1-[(3-methylphenyl)methyl]benzimidazol-4-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[5,6-dimethyl-1-[(3-methylphenyl)methyl]benzimidazol-4-yl]-4-fluorobenzenesulfonamide (CID 1476323) is N-[5,6-dimethyl-1-[(3-methylphenyl)methyl]benzimidazol-4-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[5,6-dimethyl-1-[(3-methylphenyl)methyl]benzimidazol-4-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[5,6-dimethyl-1-[(3-methylphenyl)methyl]benzimidazol-4-yl]-4-fluorobenzenesulfonamide is Cc1cccc(Cn2cnc3c(NS(=O)(=O)c4ccc(F)cc4)c(C)c(C)cc32)c1.
What is the InChIKey of N-[5,6-dimethyl-1-[(3-methylphenyl)methyl]benzimidazol-4-yl]-4-fluorobenzenesulfonamide?
The InChIKey is SKVSHAMMVRWKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2S/c1-15-5-4-6-18(11-15)13-27-14-25-23-21(27)12-16(2)17(3)22(23)26-30(28,29)20-9-7-19(24)8-10-20/h4-12,14,26H,13H2,1-3H3.
What are the key properties of N-[5,6-dimethyl-1-[(3-methylphenyl)methyl]benzimidazol-4-yl]-4-fluorobenzenesulfonamide?
N-[5,6-dimethyl-1-[(3-methylphenyl)methyl]benzimidazol-4-yl]-4-fluorobenzenesulfonamide has a molecular weight of 423.51 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-dimethyl-1-[(3-methylphenyl)methyl]benzimidazol-4-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 1476323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).