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

C17H20F3N3 — CID 118759237

IUPAC2-cyclobutyl-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1ccc2c(c1)nc(C1CCC1)n2C1CCNCC1
InChIInChI=1S/C17H20F3N3/c18-17(19,20)12-4-5-15-14(10-12)22-16(11-2-1-3-11)23(15)13-6-8-21-9-7-13/h4-5,10-11,13,21H,1-3,6-9H2
InChIKeyCDWHNDWGOYXXRP-UHFFFAOYSA-N
MW323.36 g/mol
LogP4.25
Rot. Bonds2

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

2-cyclobutyl-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole (PubChem CID 118759237) has the molecular formula C17H20F3N3 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-cyclobutyl-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-cyclobutyl-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole
PubChem CID118759237
Molecular FormulaC17H20F3N3
Molecular Weight323.36 g/mol
Exact Mass323.16
IUPAC Name2-cyclobutyl-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1ccc2c(c1)nc(C1CCC1)n2C1CCNCC1
InChIInChI=1S/C17H20F3N3/c18-17(19,20)12-4-5-15-14(10-12)22-16(11-2-1-3-11)23(15)13-6-8-21-9-7-13/h4-5,10-11,13,21H,1-3,6-9H2
InChIKeyCDWHNDWGOYXXRP-UHFFFAOYSA-N
XLogP4.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methoxymethyl)-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole
CID 118759082
2-piperidin-4-yl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 84818178
1-piperidin-4-yl-5-(trifluoromethyl)benzotriazole;hydrate;hydrochloride
CID 53444633
1-piperidin-4-yl-5-(trifluoromethyl)indole
CID 69272236
2-(2-chloroethyl)-1-cyclopentyl-5-(trifluoromethyl)benzimidazole
CID 115502183
3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]cyclohexan-1-amine
CID 81455528
1-methyl-2-(2-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzimidazole
CID 81455525
3-[2-cyclohexyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 46308794
2-piperidin-4-yloxy-6-(trifluoromethyl)quinoline
CID 175780959
[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine
CID 115059614
[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 45166623
5-methyl-1-piperidin-4-ylbenzimidazol-2-amine
CID 84793876

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-cyclobutyl-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole (CID 118759237) is 2-cyclobutyl-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-cyclobutyl-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-cyclobutyl-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole is FC(F)(F)c1ccc2c(c1)nc(C1CCC1)n2C1CCNCC1.
What is the InChIKey of 2-cyclobutyl-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole?
The InChIKey is CDWHNDWGOYXXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3/c18-17(19,20)12-4-5-15-14(10-12)22-16(11-2-1-3-11)23(15)13-6-8-21-9-7-13/h4-5,10-11,13,21H,1-3,6-9H2.
What are the key properties of 2-cyclobutyl-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole?
2-cyclobutyl-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole has a molecular weight of 323.36 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 118759237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).