N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]ethanesulfonamide

C18H21N3O2S — CID 53063187

IUPACN-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCn1c(-c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C18H21N3O2S/c1-3-24(22,23)19-12-13-21-17-7-5-4-6-16(17)20-18(21)15-10-8-14(2)9-11-15/h4-11,19H,3,12-13H2,1-2H3
InChIKeyQKWCTRKLDNPTJK-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.95
Rot. Bonds6

About N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]ethanesulfonamide

N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]ethanesulfonamide (PubChem CID 53063187) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]ethanesulfonamide
PubChem CID53063187
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCn1c(-c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C18H21N3O2S/c1-3-24(22,23)19-12-13-21-17-7-5-4-6-16(17)20-18(21)15-10-8-14(2)9-11-15/h4-11,19H,3,12-13H2,1-2H3
InChIKeyQKWCTRKLDNPTJK-UHFFFAOYSA-N
XLogP2.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]propane-1-sulfonamide
CID 53063270
N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]ethanesulfonamide
CID 46286417
3,4-difluoro-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
CID 53063208
4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063067
N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 53063234
3-methyl-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide
CID 53063305
1-[(2S)-butan-2-yl]-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 92865598
1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole
CID 18878798
1-[(4-methylphenyl)methyl]-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
CID 46287171
1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 20955716
1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 46287017
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]ethanesulfonamide (CID 53063187) is N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCn1c(-c2ccc(C)cc2)nc2ccccc21.
What is the InChIKey of N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]ethanesulfonamide?
The InChIKey is QKWCTRKLDNPTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-3-24(22,23)19-12-13-21-17-7-5-4-6-16(17)20-18(21)15-10-8-14(2)9-11-15/h4-11,19H,3,12-13H2,1-2H3.
What are the key properties of N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]ethanesulfonamide?
N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]ethanesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]ethanesulfonamide is sourced from PubChem (CID 53063187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).