(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine

C12H12F3N3 — CID 114022944

IUPAC(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESCn1cnc(C(N)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C12H12F3N3/c1-18-6-10(17-7-18)11(16)8-2-4-9(5-3-8)12(13,14)15/h2-7,11H,16H2,1H3
InChIKeyPBQRTKWOFAVUEJ-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.49
Rot. Bonds2

About (1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine

(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 114022944) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is (1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID114022944
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESCn1cnc(C(N)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C12H12F3N3/c1-18-6-10(17-7-18)11(16)8-2-4-9(5-3-8)12(13,14)15/h2-7,11H,16H2,1H3
InChIKeyPBQRTKWOFAVUEJ-UHFFFAOYSA-N
XLogP2.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-tert-butylphenyl)-(1-methylimidazol-4-yl)methanamine
CID 107974705
[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylimidazol-4-yl)methanamine
CID 107978063
N-[(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 107974876
(4-cyclopropyloxyphenyl)-(1-methylimidazol-4-yl)methanamine
CID 107977755
ethane;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 145107737
(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 71164818
(1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine
CID 107977933
(1R)-3,3,3-trifluoro-1-(1-methylimidazol-4-yl)propan-1-amine
CID 130598930
(6-methoxypyrimidin-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 102950754
(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115807748
(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
CID 130469846
1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
CID 154960636

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine (CID 114022944) is (1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine is Cn1cnc(C(N)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of (1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is PBQRTKWOFAVUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-18-6-10(17-7-18)11(16)8-2-4-9(5-3-8)12(13,14)15/h2-7,11H,16H2,1H3.
What are the key properties of (1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine?
(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 255.24 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 114022944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).