N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide

C19H23N3O2S — CID 50822859

IUPACN-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide
SMILESCCCn1c(CCc2cccc(NS(C)(=O)=O)c2)nc2ccccc21
InChIInChI=1S/C19H23N3O2S/c1-3-13-22-18-10-5-4-9-17(18)20-19(22)12-11-15-7-6-8-16(14-15)21-25(2,23)24/h4-10,14,21H,3,11-13H2,1-2H3
InChIKeyWOPSISQUNMWOMI-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.60
Rot. Bonds7

About N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide

N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide (PubChem CID 50822859) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide
PubChem CID50822859
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide
SMILESCCCn1c(CCc2cccc(NS(C)(=O)=O)c2)nc2ccccc21
InChIInChI=1S/C19H23N3O2S/c1-3-13-22-18-10-5-4-9-17(18)20-19(22)12-11-15-7-6-8-16(14-15)21-25(2,23)24/h4-10,14,21H,3,11-13H2,1-2H3
InChIKeyWOPSISQUNMWOMI-UHFFFAOYSA-N
XLogP3.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]pyrazole-4-sulfonamide
CID 50822864
N-[2-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide
CID 46379392
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972046
N-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]aniline
CID 106505787
4-methoxy-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972051
N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-fluorobenzamide
CID 46328403
2,4-dimethyl-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972066
2,4-difluoro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 46379452
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933815
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-ethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
CID 53063363

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide (CID 50822859) is N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide is CCCn1c(CCc2cccc(NS(C)(=O)=O)c2)nc2ccccc21.
What is the InChIKey of N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide?
The InChIKey is WOPSISQUNMWOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-3-13-22-18-10-5-4-9-17(18)20-19(22)12-11-15-7-6-8-16(14-15)21-25(2,23)24/h4-10,14,21H,3,11-13H2,1-2H3.
What are the key properties of N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide?
N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide has a molecular weight of 357.48 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 50822859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).