3-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide

C18H16F3N3OS — CID 46689137

IUPAC3-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESNC(=O)CCSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1
InChIInChI=1S/C18H16F3N3OS/c19-18(20,21)13-6-7-15-14(10-13)23-17(26-9-8-16(22)25)24(15)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H2,22,25)
InChIKeyXFDMHDNOGXIFON-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.07
Rot. Bonds6

About 3-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide

3-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide (PubChem CID 46689137) has the molecular formula C18H16F3N3OS and a molecular weight of 379.41 g/mol. Its IUPAC name is 3-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound Name3-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
PubChem CID46689137
Molecular FormulaC18H16F3N3OS
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name3-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESNC(=O)CCSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1
InChIInChI=1S/C18H16F3N3OS/c19-18(20,21)13-6-7-15-14(10-13)23-17(26-9-8-16(22)25)24(15)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H2,22,25)
InChIKeyXFDMHDNOGXIFON-UHFFFAOYSA-N
XLogP4.07
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide 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

2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-hydroxyacetamide
CID 177370204
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 4815297
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 26434941
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide
CID 4033074
1-[2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethyl]pyrrolidin-2-one
CID 112821836
N-(benzylcarbamoyl)-2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 3604261
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 4030976
2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetamide
CID 3892285
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(4-nitro-1H-pyrrol-2-yl)ethanone
CID 4843098
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 41166156
1-benzyl-2-methyl-5-(trifluoromethyl)benzimidazole
CID 757530
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 25361394

Frequently Asked Questions

What is the IUPAC name of 3-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide?
The IUPAC name of 3-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide (CID 46689137) is 3-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for 3-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for 3-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide is NC(=O)CCSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1.
What is the InChIKey of 3-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide?
The InChIKey is XFDMHDNOGXIFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3OS/c19-18(20,21)13-6-7-15-14(10-13)23-17(26-9-8-16(22)25)24(15)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H2,22,25).
What are the key properties of 3-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide?
3-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide has a molecular weight of 379.41 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 46689137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).