3-[(2-methylimidazol-1-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyridine;hydrochloride

C17H15ClF3N3 — CID 23445013

IUPAC3-[(2-methylimidazol-1-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyridine;hydrochloride
SMILESCc1nccn1Cc1cncc(-c2ccc(C(F)(F)F)cc2)c1.Cl
InChIInChI=1S/C17H14F3N3.ClH/c1-12-22-6-7-23(12)11-13-8-15(10-21-9-13)14-2-4-16(5-3-14)17(18,19)20;/h2-10H,11H2,1H3;1H
InChIKeyMFCAJPXIFKOZTG-UHFFFAOYSA-N
MW353.78 g/mol
LogP4.74
Rot. Bonds3

About 3-[(2-methylimidazol-1-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyridine;hydrochloride

3-[(2-methylimidazol-1-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyridine;hydrochloride (PubChem CID 23445013) has the molecular formula C17H15ClF3N3 and a molecular weight of 353.78 g/mol. Its IUPAC name is 3-[(2-methylimidazol-1-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyridine;hydrochloride.

Molecular Properties

Compound Name3-[(2-methylimidazol-1-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyridine;hydrochloride
PubChem CID23445013
Molecular FormulaC17H15ClF3N3
Molecular Weight353.78 g/mol
Exact Mass353.09
IUPAC Name3-[(2-methylimidazol-1-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyridine;hydrochloride
SMILESCc1nccn1Cc1cncc(-c2ccc(C(F)(F)F)cc2)c1.Cl
InChIInChI=1S/C17H14F3N3.ClH/c1-12-22-6-7-23(12)11-13-8-15(10-21-9-13)14-2-4-16(5-3-14)17(18,19)20;/h2-10H,11H2,1H3;1H
InChIKeyMFCAJPXIFKOZTG-UHFFFAOYSA-N
XLogP4.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.78
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-difluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridine;hydrochloride
CID 23445027
3,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134623472
2-methyl-1-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111421079
N-[2-(2-methylimidazol-1-yl)ethyl]-4-(trifluoromethyl)aniline
CID 61492963
3-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol
CID 82560734
5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine
CID 10359623
N-[2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86891478
1-benzyl-2-methylimidazole
CID 158634472
4-[(2-methylimidazol-1-yl)methyl]-1,2-thiazole
CID 167974093
[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 70515805
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43922204
2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]acetonitrile
CID 82561680

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylimidazol-1-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyridine;hydrochloride?
The IUPAC name of 3-[(2-methylimidazol-1-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyridine;hydrochloride (CID 23445013) is 3-[(2-methylimidazol-1-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyridine;hydrochloride.
What is the SMILES notation for 3-[(2-methylimidazol-1-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyridine;hydrochloride?
The canonical SMILES for 3-[(2-methylimidazol-1-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyridine;hydrochloride is Cc1nccn1Cc1cncc(-c2ccc(C(F)(F)F)cc2)c1.Cl.
What is the InChIKey of 3-[(2-methylimidazol-1-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyridine;hydrochloride?
The InChIKey is MFCAJPXIFKOZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3.ClH/c1-12-22-6-7-23(12)11-13-8-15(10-21-9-13)14-2-4-16(5-3-14)17(18,19)20;/h2-10H,11H2,1H3;1H.
What are the key properties of 3-[(2-methylimidazol-1-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyridine;hydrochloride?
3-[(2-methylimidazol-1-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyridine;hydrochloride has a molecular weight of 353.78 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylimidazol-1-yl)methyl]-5-[4-(trifluoromethyl)phenyl]pyridine;hydrochloride is sourced from PubChem (CID 23445013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).