4-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidine

C18H22F3N3 — CID 138510043

IUPAC4-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidine
SMILESCc1[nH]c(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(C)CC1
InChIInChI=1S/C18H22F3N3/c1-12-7-9-24(10-8-12)11-16-13(2)22-17(23-16)14-3-5-15(6-4-14)18(19,20)21/h3-6,12H,7-11H2,1-2H3,(H,22,23)
InChIKeyYFEWKJBRKRZITC-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.64
Rot. Bonds3

About 4-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidine

4-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidine (PubChem CID 138510043) has the molecular formula C18H22F3N3 and a molecular weight of 337.39 g/mol. Its IUPAC name is 4-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidine
PubChem CID138510043
Molecular FormulaC18H22F3N3
Molecular Weight337.39 g/mol
Exact Mass337.18
IUPAC Name4-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidine
SMILESCc1[nH]c(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(C)CC1
InChIInChI=1S/C18H22F3N3/c1-12-7-9-24(10-8-12)11-16-13(2)22-17(23-16)14-3-5-15(6-4-14)18(19,20)21/h3-6,12H,7-11H2,1-2H3,(H,22,23)
InChIKeyYFEWKJBRKRZITC-UHFFFAOYSA-N
XLogP4.64
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidine?
The IUPAC name of 4-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidine (CID 138510043) is 4-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidine.
What is the SMILES notation for 4-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidine?
The canonical SMILES for 4-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidine is Cc1[nH]c(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(C)CC1.
What is the InChIKey of 4-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidine?
The InChIKey is YFEWKJBRKRZITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3/c1-12-7-9-24(10-8-12)11-16-13(2)22-17(23-16)14-3-5-15(6-4-14)18(19,20)21/h3-6,12H,7-11H2,1-2H3,(H,22,23).
What are the key properties of 4-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidine?
4-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidine has a molecular weight of 337.39 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidine is sourced from PubChem (CID 138510043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).