N-(benzenesulfonyl)-4-[(2-butylbenzimidazol-1-yl)methyl]benzamide

C25H25N3O3S — CID 19806374

IUPACN-(benzenesulfonyl)-4-[(2-butylbenzimidazol-1-yl)methyl]benzamide
SMILESCCCCc1nc2ccccc2n1Cc1ccc(C(=O)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O3S/c1-2-3-13-24-26-22-11-7-8-12-23(22)28(24)18-19-14-16-20(17-15-19)25(29)27-32(30,31)21-9-5-4-6-10-21/h4-12,14-17H,2-3,13,18H2,1H3,(H,27,29)
InChIKeyFHXRVKCRDXUTKK-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.55
Rot. Bonds8

About N-(benzenesulfonyl)-4-[(2-butylbenzimidazol-1-yl)methyl]benzamide

N-(benzenesulfonyl)-4-[(2-butylbenzimidazol-1-yl)methyl]benzamide (PubChem CID 19806374) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-(benzenesulfonyl)-4-[(2-butylbenzimidazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-4-[(2-butylbenzimidazol-1-yl)methyl]benzamide
PubChem CID19806374
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC NameN-(benzenesulfonyl)-4-[(2-butylbenzimidazol-1-yl)methyl]benzamide
SMILESCCCCc1nc2ccccc2n1Cc1ccc(C(=O)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O3S/c1-2-3-13-24-26-22-11-7-8-12-23(22)28(24)18-19-14-16-20(17-15-19)25(29)27-32(30,31)21-9-5-4-6-10-21/h4-12,14-17H,2-3,13,18H2,1H3,(H,27,29)
InChIKeyFHXRVKCRDXUTKK-UHFFFAOYSA-N
XLogP4.55
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-butylbenzimidazol-1-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide
CID 19806375
4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid
CID 14987298
N-[4-[[5-(aminomethyl)-2-butylimidazol-1-yl]methyl]phenyl]sulfonylbenzamide
CID 68720192
4-[(2-butylbenzimidazol-1-yl)methyl]aniline
CID 54524981
N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide
CID 16984267
N-(benzenesulfonyl)-2-[4-[[2-butyl-5-[methylcarbamoyl(pentyl)amino]benzimidazol-1-yl]methyl]phenyl]benzamide
CID 67733327
1-Benzyl-2-heptadecyl-1H-benzimidazole,disulfo derivative,sodium salt
CID 90473584
5-[(2-butylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 82144541
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166
N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975742
1-benzyl-2-propylbenzimidazole
CID 764560
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-4-[(2-butylbenzimidazol-1-yl)methyl]benzamide?
The IUPAC name of N-(benzenesulfonyl)-4-[(2-butylbenzimidazol-1-yl)methyl]benzamide (CID 19806374) is N-(benzenesulfonyl)-4-[(2-butylbenzimidazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(benzenesulfonyl)-4-[(2-butylbenzimidazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(benzenesulfonyl)-4-[(2-butylbenzimidazol-1-yl)methyl]benzamide is CCCCc1nc2ccccc2n1Cc1ccc(C(=O)NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-4-[(2-butylbenzimidazol-1-yl)methyl]benzamide?
The InChIKey is FHXRVKCRDXUTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-2-3-13-24-26-22-11-7-8-12-23(22)28(24)18-19-14-16-20(17-15-19)25(29)27-32(30,31)21-9-5-4-6-10-21/h4-12,14-17H,2-3,13,18H2,1H3,(H,27,29).
What are the key properties of N-(benzenesulfonyl)-4-[(2-butylbenzimidazol-1-yl)methyl]benzamide?
N-(benzenesulfonyl)-4-[(2-butylbenzimidazol-1-yl)methyl]benzamide has a molecular weight of 447.56 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-4-[(2-butylbenzimidazol-1-yl)methyl]benzamide is sourced from PubChem (CID 19806374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).