N-[2-(5-amino-1-propylbenzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide

C23H24N4O2S — CID 91823774

IUPACN-[2-(5-amino-1-propylbenzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCCCn1c(-c2ccccc2NS(=O)(=O)c2ccc(C)cc2)nc2cc(N)ccc21
InChIInChI=1S/C23H24N4O2S/c1-3-14-27-22-13-10-17(24)15-21(22)25-23(27)19-6-4-5-7-20(19)26-30(28,29)18-11-8-16(2)9-12-18/h4-13,15,26H,3,14,24H2,1-2H3
InChIKeyPQDAWRWPBCIUNX-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.80
Rot. Bonds6

About N-[2-(5-amino-1-propylbenzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide

N-[2-(5-amino-1-propylbenzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 91823774) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[2-(5-amino-1-propylbenzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-amino-1-propylbenzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide
PubChem CID91823774
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC NameN-[2-(5-amino-1-propylbenzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCCCn1c(-c2ccccc2NS(=O)(=O)c2ccc(C)cc2)nc2cc(N)ccc21
InChIInChI=1S/C23H24N4O2S/c1-3-14-27-22-13-10-17(24)15-21(22)25-23(27)19-6-4-5-7-20(19)26-30(28,29)18-11-8-16(2)9-12-18/h4-13,15,26H,3,14,24H2,1-2H3
InChIKeyPQDAWRWPBCIUNX-UHFFFAOYSA-N
XLogP4.80
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-ethyl-5-nitrobenzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 91823769
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
4-bromo-3-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 115296231
N-(5-amino-1-propylbenzimidazol-2-yl)-3-(benzenesulfonamido)benzamide
CID 68789371
4-methyl-N-[2-[[(1-octylbenzimidazol-2-yl)amino]methyl]phenyl]benzenesulfonamide
CID 3753594
5-methyl-2-phenyl-1-propylbenzimidazole
CID 72721451
3-(5-bromo-1-propylbenzimidazol-2-yl)-2-methylaniline
CID 62946740
N-(5-amino-2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 154116632
2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazole-5-sulfonamide
CID 176978723
3-(5-chloro-1-propylbenzimidazol-2-yl)-2-methylaniline
CID 62946902
5-ethyl-3-(5-methyl-1-propylbenzimidazol-2-yl)thiophen-2-amine
CID 63615316
N'-(4-methylphenyl)sulfonyl-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide
CID 4732104

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-1-propylbenzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(5-amino-1-propylbenzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide (CID 91823774) is N-[2-(5-amino-1-propylbenzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(5-amino-1-propylbenzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(5-amino-1-propylbenzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide is CCCn1c(-c2ccccc2NS(=O)(=O)c2ccc(C)cc2)nc2cc(N)ccc21.
What is the InChIKey of N-[2-(5-amino-1-propylbenzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is PQDAWRWPBCIUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-3-14-27-22-13-10-17(24)15-21(22)25-23(27)19-6-4-5-7-20(19)26-30(28,29)18-11-8-16(2)9-12-18/h4-13,15,26H,3,14,24H2,1-2H3.
What are the key properties of N-[2-(5-amino-1-propylbenzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide?
N-[2-(5-amino-1-propylbenzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 420.54 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-1-propylbenzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 91823774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).