1-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine

C17H21F3N4 — CID 162612181

IUPAC1-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
SMILESCC1CCN(c2cc(C(F)(F)F)ccc2Cn2ccnc2N)CC1
InChIInChI=1S/C17H21F3N4/c1-12-4-7-23(8-5-12)15-10-14(17(18,19)20)3-2-13(15)11-24-9-6-22-16(24)21/h2-3,6,9-10,12H,4-5,7-8,11H2,1H3,(H2,21,22)
InChIKeyHXASPDNTFFNLIQ-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.77
Rot. Bonds3

About 1-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine

1-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine (PubChem CID 162612181) has the molecular formula C17H21F3N4 and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
PubChem CID162612181
Molecular FormulaC17H21F3N4
Molecular Weight338.38 g/mol
Exact Mass338.17
IUPAC Name1-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
SMILESCC1CCN(c2cc(C(F)(F)F)ccc2Cn2ccnc2N)CC1
InChIInChI=1S/C17H21F3N4/c1-12-4-7-23(8-5-12)15-10-14(17(18,19)20)3-2-13(15)11-24-9-6-22-16(24)21/h2-3,6,9-10,12H,4-5,7-8,11H2,1H3,(H2,21,22)
InChIKeyHXASPDNTFFNLIQ-UHFFFAOYSA-N
XLogP3.77
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
The IUPAC name of 1-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine (CID 162612181) is 1-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine.
What is the SMILES notation for 1-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
The canonical SMILES for 1-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine is CC1CCN(c2cc(C(F)(F)F)ccc2Cn2ccnc2N)CC1.
What is the InChIKey of 1-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
The InChIKey is HXASPDNTFFNLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4/c1-12-4-7-23(8-5-12)15-10-14(17(18,19)20)3-2-13(15)11-24-9-6-22-16(24)21/h2-3,6,9-10,12H,4-5,7-8,11H2,1H3,(H2,21,22).
What are the key properties of 1-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
1-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine has a molecular weight of 338.38 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine is sourced from PubChem (CID 162612181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).