4-[(2-butylbenzimidazol-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide

C26H27N3O3S — CID 19806375

IUPAC4-[(2-butylbenzimidazol-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide
SMILESCCCCc1nc2ccccc2n1Cc1ccc(C(=O)NS(=O)(=O)c2ccccc2C)cc1
InChIInChI=1S/C26H27N3O3S/c1-3-4-13-25-27-22-10-6-7-11-23(22)29(25)18-20-14-16-21(17-15-20)26(30)28-33(31,32)24-12-8-5-9-19(24)2/h5-12,14-17H,3-4,13,18H2,1-2H3,(H,28,30)
InChIKeyPBTZHGHRZURNRD-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.85
Rot. Bonds8

About 4-[(2-butylbenzimidazol-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide

4-[(2-butylbenzimidazol-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide (PubChem CID 19806375) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is 4-[(2-butylbenzimidazol-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name4-[(2-butylbenzimidazol-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide
PubChem CID19806375
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC Name4-[(2-butylbenzimidazol-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide
SMILESCCCCc1nc2ccccc2n1Cc1ccc(C(=O)NS(=O)(=O)c2ccccc2C)cc1
InChIInChI=1S/C26H27N3O3S/c1-3-4-13-25-27-22-10-6-7-11-23(22)29(25)18-20-14-16-21(17-15-20)26(30)28-33(31,32)24-12-8-5-9-19(24)2/h5-12,14-17H,3-4,13,18H2,1-2H3,(H,28,30)
InChIKeyPBTZHGHRZURNRD-UHFFFAOYSA-N
XLogP4.85
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(benzenesulfonyl)-4-[(2-butylbenzimidazol-1-yl)methyl]benzamide
CID 19806374
4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid
CID 14987298
4-[(2-butylbenzimidazol-1-yl)methyl]aniline
CID 54524981
N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide
CID 16984267
4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide
CID 19093688
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166
4-bromo-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991580
N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide
CID 16991895
N-[2-[4-[(2-butyl-5,6-dimethylimidazo[1,2-b][1,2,4]triazol-3-yl)methyl]phenyl]phenyl]sulfonylbenzamide
CID 19779413
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754980
2-ethyl-N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]butanamide
CID 16980992

Frequently Asked Questions

What is the IUPAC name of 4-[(2-butylbenzimidazol-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide?
The IUPAC name of 4-[(2-butylbenzimidazol-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide (CID 19806375) is 4-[(2-butylbenzimidazol-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide.
What is the SMILES notation for 4-[(2-butylbenzimidazol-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide?
The canonical SMILES for 4-[(2-butylbenzimidazol-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide is CCCCc1nc2ccccc2n1Cc1ccc(C(=O)NS(=O)(=O)c2ccccc2C)cc1.
What is the InChIKey of 4-[(2-butylbenzimidazol-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide?
The InChIKey is PBTZHGHRZURNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S/c1-3-4-13-25-27-22-10-6-7-11-23(22)29(25)18-20-14-16-21(17-15-20)26(30)28-33(31,32)24-12-8-5-9-19(24)2/h5-12,14-17H,3-4,13,18H2,1-2H3,(H,28,30).
What are the key properties of 4-[(2-butylbenzimidazol-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide?
4-[(2-butylbenzimidazol-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide has a molecular weight of 461.59 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-butylbenzimidazol-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide is sourced from PubChem (CID 19806375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).