2-piperidin-4-yl-1-propyl-5-(trifluoromethyl)benzimidazole

C16H20F3N3 — CID 84818178

IUPAC2-piperidin-4-yl-1-propyl-5-(trifluoromethyl)benzimidazole
SMILESCCCn1c(C2CCNCC2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H20F3N3/c1-2-9-22-14-4-3-12(16(17,18)19)10-13(14)21-15(22)11-5-7-20-8-6-11/h3-4,10-11,20H,2,5-9H2,1H3
InChIKeyFSCJEEFNIPLFNR-UHFFFAOYSA-N
MW311.35 g/mol
LogP3.93
Rot. Bonds3

About 2-piperidin-4-yl-1-propyl-5-(trifluoromethyl)benzimidazole

2-piperidin-4-yl-1-propyl-5-(trifluoromethyl)benzimidazole (PubChem CID 84818178) has the molecular formula C16H20F3N3 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-piperidin-4-yl-1-propyl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-piperidin-4-yl-1-propyl-5-(trifluoromethyl)benzimidazole
PubChem CID84818178
Molecular FormulaC16H20F3N3
Molecular Weight311.35 g/mol
Exact Mass311.16
IUPAC Name2-piperidin-4-yl-1-propyl-5-(trifluoromethyl)benzimidazole
SMILESCCCn1c(C2CCNCC2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H20F3N3/c1-2-9-22-14-4-3-12(16(17,18)19)10-13(14)21-15(22)11-5-7-20-8-6-11/h3-4,10-11,20H,2,5-9H2,1H3
InChIKeyFSCJEEFNIPLFNR-UHFFFAOYSA-N
XLogP3.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-piperidin-4-yl-1-propyl-5-(trifluoromethyl)benzimidazole 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

5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole
CID 82333743
5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole
CID 82332332
3-[2-cyclohexyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 46308794
2-cyclobutyl-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole
CID 118759237
1-(2-ethoxyethyl)-2-pyrrolidin-2-yl-5-(trifluoromethyl)benzimidazole
CID 46309308
1-ethyl-2-piperidin-4-yl-5-propoxybenzimidazole
CID 82335125
2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310703
2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310677
2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310801
2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid
CID 82483518
2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile
CID 65040307
1-methyl-2-(2-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzimidazole
CID 81455525

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-1-propyl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-piperidin-4-yl-1-propyl-5-(trifluoromethyl)benzimidazole (CID 84818178) is 2-piperidin-4-yl-1-propyl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-piperidin-4-yl-1-propyl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-piperidin-4-yl-1-propyl-5-(trifluoromethyl)benzimidazole is CCCn1c(C2CCNCC2)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-piperidin-4-yl-1-propyl-5-(trifluoromethyl)benzimidazole?
The InChIKey is FSCJEEFNIPLFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3/c1-2-9-22-14-4-3-12(16(17,18)19)10-13(14)21-15(22)11-5-7-20-8-6-11/h3-4,10-11,20H,2,5-9H2,1H3.
What are the key properties of 2-piperidin-4-yl-1-propyl-5-(trifluoromethyl)benzimidazole?
2-piperidin-4-yl-1-propyl-5-(trifluoromethyl)benzimidazole has a molecular weight of 311.35 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-1-propyl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 84818178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).