N-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethyl]cyclopropanamine

C14H15F3N4 — CID 141442757

IUPACN-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethyl]cyclopropanamine
SMILESFC(F)(F)c1cc(-c2cn(CCNC3CC3)cn2)ccn1
InChIInChI=1S/C14H15F3N4/c15-14(16,17)13-7-10(3-4-19-13)12-8-21(9-20-12)6-5-18-11-1-2-11/h3-4,7-9,11,18H,1-2,5-6H2
InChIKeyIMWVKRLOGKEDNA-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.72
Rot. Bonds5

About N-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethyl]cyclopropanamine

N-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethyl]cyclopropanamine (PubChem CID 141442757) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is N-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethyl]cyclopropanamine
PubChem CID141442757
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC NameN-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethyl]cyclopropanamine
SMILESFC(F)(F)c1cc(-c2cn(CCNC3CC3)cn2)ccn1
InChIInChI=1S/C14H15F3N4/c15-14(16,17)13-7-10(3-4-19-13)12-8-21(9-20-12)6-5-18-11-1-2-11/h3-4,7-9,11,18H,1-2,5-6H2
InChIKeyIMWVKRLOGKEDNA-UHFFFAOYSA-N
XLogP2.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethyl]cyclopropanamine (CID 141442757) is N-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethyl]cyclopropanamine is FC(F)(F)c1cc(-c2cn(CCNC3CC3)cn2)ccn1.
What is the InChIKey of N-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethyl]cyclopropanamine?
The InChIKey is IMWVKRLOGKEDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c15-14(16,17)13-7-10(3-4-19-13)12-8-21(9-20-12)6-5-18-11-1-2-11/h3-4,7-9,11,18H,1-2,5-6H2.
What are the key properties of N-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethyl]cyclopropanamine?
N-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethyl]cyclopropanamine has a molecular weight of 296.30 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 141442757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).