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

C17H16F3N3O2S — CID 53063314

IUPAC1-phenyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C17H16F3N3O2S/c18-17(19,20)16-22-14-8-4-5-9-15(14)23(16)11-10-21-26(24,25)12-13-6-2-1-3-7-13/h1-9,21H,10-12H2
InChIKeyGDESJJINNLSMJM-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.17
Rot. Bonds6

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

1-phenyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]methanesulfonamide (PubChem CID 53063314) has the molecular formula C17H16F3N3O2S and a molecular weight of 383.40 g/mol. Its IUPAC name is 1-phenyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]methanesulfonamide
PubChem CID53063314
Molecular FormulaC17H16F3N3O2S
Molecular Weight383.40 g/mol
Exact Mass383.09
IUPAC Name1-phenyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C17H16F3N3O2S/c18-17(19,20)16-22-14-8-4-5-9-15(14)23(16)11-10-21-26(24,25)12-13-6-2-1-3-7-13/h1-9,21H,10-12H2
InChIKeyGDESJJINNLSMJM-UHFFFAOYSA-N
XLogP3.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]methanesulfonamide 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

1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole
CID 16996767
3-chloro-4-methyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
CID 53085012
2-phenoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]acetamide
CID 53063129
N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]furan-2-carboxamide
CID 53063111
1-butyl-2-(trifluoromethyl)benzimidazole
CID 3746789
N-(3-phenylpropyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27647017
(2S)-3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]propanamide
CID 91639260
N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-1-phenylmethanesulfonamide
CID 110396364
5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol
CID 111469972
methyl 4-[2-(trifluoromethyl)benzimidazol-1-yl]butanoate
CID 56791848
1-(4-ethoxyphenyl)-3-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]urea
CID 46287097
1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole
CID 1472616

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]methanesulfonamide?
The IUPAC name of 1-phenyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]methanesulfonamide (CID 53063314) is 1-phenyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for 1-phenyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]methanesulfonamide is O=S(=O)(Cc1ccccc1)NCCn1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of 1-phenyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]methanesulfonamide?
The InChIKey is GDESJJINNLSMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2S/c18-17(19,20)16-22-14-8-4-5-9-15(14)23(16)11-10-21-26(24,25)12-13-6-2-1-3-7-13/h1-9,21H,10-12H2.
What are the key properties of 1-phenyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]methanesulfonamide?
1-phenyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]methanesulfonamide has a molecular weight of 383.40 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 53063314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).