1-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C15H22F3N3 — CID 64856976

IUPAC1-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC1CCC(Cn2c(C(F)(F)F)nc3c2CCNC3)CC1
InChIInChI=1S/C15H22F3N3/c1-10-2-4-11(5-3-10)9-21-13-6-7-19-8-12(13)20-14(21)15(16,17)18/h10-11,19H,2-9H2,1H3
InChIKeyIIBQGZXGERENSF-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.37
Rot. Bonds2

About 1-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64856976) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is 1-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64856976
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC Name1-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC1CCC(Cn2c(C(F)(F)F)nc3c2CCNC3)CC1
InChIInChI=1S/C15H22F3N3/c1-10-2-4-11(5-3-10)9-21-13-6-7-19-8-12(13)20-14(21)15(16,17)18/h10-11,19H,2-9H2,1H3
InChIKeyIIBQGZXGERENSF-UHFFFAOYSA-N
XLogP3.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64856976) is 1-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC1CCC(Cn2c(C(F)(F)F)nc3c2CCNC3)CC1.
What is the InChIKey of 1-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is IIBQGZXGERENSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-10-2-4-11(5-3-10)9-21-13-6-7-19-8-12(13)20-14(21)15(16,17)18/h10-11,19H,2-9H2,1H3.
What are the key properties of 1-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 301.36 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64856976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).