N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine

C18H24F3N5 — CID 90158510

IUPACN,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine
SMILESCN(C)CCn1cc(-c2ccnc(C(F)(F)F)c2)nc1C1CCNCC1
InChIInChI=1S/C18H24F3N5/c1-25(2)9-10-26-12-15(24-17(26)13-3-6-22-7-4-13)14-5-8-23-16(11-14)18(19,20)21/h5,8,11-13,22H,3-4,6-7,9-10H2,1-2H3
InChIKeyLSZRHSIGOVDTHZ-UHFFFAOYSA-N
MW367.42 g/mol
LogP2.99
Rot. Bonds5

About N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine

N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine (PubChem CID 90158510) has the molecular formula C18H24F3N5 and a molecular weight of 367.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine
PubChem CID90158510
Molecular FormulaC18H24F3N5
Molecular Weight367.42 g/mol
Exact Mass367.20
IUPAC NameN,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine
SMILESCN(C)CCn1cc(-c2ccnc(C(F)(F)F)c2)nc1C1CCNCC1
InChIInChI=1S/C18H24F3N5/c1-25(2)9-10-26-12-15(24-17(26)13-3-6-22-7-4-13)14-5-8-23-16(11-14)18(19,20)21/h5,8,11-13,22H,3-4,6-7,9-10H2,1-2H3
InChIKeyLSZRHSIGOVDTHZ-UHFFFAOYSA-N
XLogP2.99
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine (CID 90158510) is N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine is CN(C)CCn1cc(-c2ccnc(C(F)(F)F)c2)nc1C1CCNCC1.
What is the InChIKey of N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine?
The InChIKey is LSZRHSIGOVDTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N5/c1-25(2)9-10-26-12-15(24-17(26)13-3-6-22-7-4-13)14-5-8-23-16(11-14)18(19,20)21/h5,8,11-13,22H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine?
N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine has a molecular weight of 367.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-piperidin-4-yl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethanamine is sourced from PubChem (CID 90158510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).