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

C19H23N3O2S — CID 46379392

IUPACN-[2-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide
SMILESCCCn1c(CCc2ccccc2NS(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C19H23N3O2S/c1-3-14-22-18-11-7-6-10-17(18)20-19(22)13-12-15-8-4-5-9-16(15)21-25(2,23)24/h4-11,21H,3,12-14H2,1-2H3
InChIKeyHQPGRYMJASELEW-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.60
Rot. Bonds7

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

N-[2-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide (PubChem CID 46379392) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[2-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide
PubChem CID46379392
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[2-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide
SMILESCCCn1c(CCc2ccccc2NS(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C19H23N3O2S/c1-3-14-22-18-11-7-6-10-17(18)20-19(22)13-12-15-8-4-5-9-16(15)21-25(2,23)24/h4-11,21H,3,12-14H2,1-2H3
InChIKeyHQPGRYMJASELEW-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

N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide
CID 50822859
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
3-chloro-N-[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-methylbenzenesulfonamide
CID 46379345
3-methylsulfonyl-1-(1-propylbenzimidazol-2-yl)butan-2-one
CID 115781898
N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750802
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-(2-chlorophenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16979229
2-ethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
CID 53063363
N-[2-chloro-4-[[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]sulfamoyl]phenyl]acetamide
CID 50822824
1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole
CID 116626944
N-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750199
N,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 170866848

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide (CID 46379392) is N-[2-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide is CCCn1c(CCc2ccccc2NS(C)(=O)=O)nc2ccccc21.
What is the InChIKey of N-[2-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide?
The InChIKey is HQPGRYMJASELEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-3-14-22-18-11-7-6-10-17(18)20-19(22)13-12-15-8-4-5-9-16(15)21-25(2,23)24/h4-11,21H,3,12-14H2,1-2H3.
What are the key properties of N-[2-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide?
N-[2-[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-[2-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 46379392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).