1-chloro-7-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

C15H14ClF3N2 — CID 117249432

IUPAC1-chloro-7-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCn2c(-c3ccc(C(F)(F)F)cc3)nc(Cl)c2C1
InChIInChI=1S/C15H14ClF3N2/c1-9-6-7-21-12(8-9)13(16)20-14(21)10-2-4-11(5-3-10)15(17,18)19/h2-5,9H,6-8H2,1H3
InChIKeyJNUKWECEDZDAAP-UHFFFAOYSA-N
MW314.74 g/mol
LogP4.80
Rot. Bonds1

About 1-chloro-7-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

1-chloro-7-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 117249432) has the molecular formula C15H14ClF3N2 and a molecular weight of 314.74 g/mol. Its IUPAC name is 1-chloro-7-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-chloro-7-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID117249432
Molecular FormulaC15H14ClF3N2
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC Name1-chloro-7-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCn2c(-c3ccc(C(F)(F)F)cc3)nc(Cl)c2C1
InChIInChI=1S/C15H14ClF3N2/c1-9-6-7-21-12(8-9)13(16)20-14(21)10-2-4-11(5-3-10)15(17,18)19/h2-5,9H,6-8H2,1H3
InChIKeyJNUKWECEDZDAAP-UHFFFAOYSA-N
XLogP4.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-7-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117249313
7-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117157034
1-chloro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 117249395
3-(3-chlorophenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249323
1-chloro-8-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
CID 117252634
1-bromo-7-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117249314
1-chloro-3-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine
CID 117249287
1-chloro-7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117249038
4-methyl-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidine
CID 138510043
1-bromo-3-(5-chlorofuran-2-yl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117249120
6-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 118949644
6-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117154569

Frequently Asked Questions

What is the IUPAC name of 1-chloro-7-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 1-chloro-7-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 117249432) is 1-chloro-7-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-chloro-7-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 1-chloro-7-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is CC1CCn2c(-c3ccc(C(F)(F)F)cc3)nc(Cl)c2C1.
What is the InChIKey of 1-chloro-7-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is JNUKWECEDZDAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2/c1-9-6-7-21-12(8-9)13(16)20-14(21)10-2-4-11(5-3-10)15(17,18)19/h2-5,9H,6-8H2,1H3.
What are the key properties of 1-chloro-7-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
1-chloro-7-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 314.74 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-7-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 117249432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).