3,5-dichloro-N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide

C23H21Cl2N3O3S — CID 1479149

IUPAC3,5-dichloro-N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide
SMILESCOc1ccc(Cn2cnc3c(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)c(C)c(C)cc32)cc1
InChIInChI=1S/C23H21Cl2N3O3S/c1-14-8-21-23(26-13-28(21)12-16-4-6-19(31-3)7-5-16)22(15(14)2)27-32(29,30)20-10-17(24)9-18(25)11-20/h4-11,13,27H,12H2,1-3H3
InChIKeyNKUKXBQIYFLTGD-UHFFFAOYSA-N
MW490.41 g/mol
LogP5.82
Rot. Bonds6

About 3,5-dichloro-N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide

3,5-dichloro-N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide (PubChem CID 1479149) has the molecular formula C23H21Cl2N3O3S and a molecular weight of 490.41 g/mol. Its IUPAC name is 3,5-dichloro-N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide
PubChem CID1479149
Molecular FormulaC23H21Cl2N3O3S
Molecular Weight490.41 g/mol
Exact Mass489.07
IUPAC Name3,5-dichloro-N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide
SMILESCOc1ccc(Cn2cnc3c(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)c(C)c(C)cc32)cc1
InChIInChI=1S/C23H21Cl2N3O3S/c1-14-8-21-23(26-13-28(21)12-16-4-6-19(31-3)7-5-16)22(15(14)2)27-32(29,30)20-10-17(24)9-18(25)11-20/h4-11,13,27H,12H2,1-3H3
InChIKeyNKUKXBQIYFLTGD-UHFFFAOYSA-N
XLogP5.82
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.41
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]benzenesulfonamide
CID 1479116
N-(5,6-dimethyl-1-propylbenzimidazol-4-yl)-4-methoxybenzenesulfonamide
CID 1476367
1-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-amine
CID 166683942
2,4,5-trichloro-N-[1-[(3-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide
CID 3512894
N-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]-2-methylpropanamide
CID 59172184
4-tert-butyl-N-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]benzenesulfonamide
CID 1479134
N-[5,6-dimethyl-1-[(3-methylphenyl)methyl]benzimidazol-4-yl]-1,1,1-trifluoromethanesulfonamide
CID 1476366
3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
CID 5018847
4-fluoro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide
CID 1474186
2-chloro-N-(4-methoxy-2,6-dimethylphenyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine
CID 56930431
N-(3,5-dichlorophenyl)-2-[(4-methoxyphenyl)methyl]-5-methylsulfonyl-1,2,4-triazol-3-amine
CID 90391496
1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-4-amine
CID 141220719

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide (CID 1479149) is 3,5-dichloro-N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide is COc1ccc(Cn2cnc3c(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)c(C)c(C)cc32)cc1.
What is the InChIKey of 3,5-dichloro-N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide?
The InChIKey is NKUKXBQIYFLTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O3S/c1-14-8-21-23(26-13-28(21)12-16-4-6-19(31-3)7-5-16)22(15(14)2)27-32(29,30)20-10-17(24)9-18(25)11-20/h4-11,13,27H,12H2,1-3H3.
What are the key properties of 3,5-dichloro-N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide?
3,5-dichloro-N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide has a molecular weight of 490.41 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 1479149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).