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

C12H18F3N3O — CID 64858973

IUPAC1-(4-methoxybutan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCOCCC(C)n1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C12H18F3N3O/c1-8(4-6-19-2)18-10-3-5-16-7-9(10)17-11(18)12(13,14)15/h8,16H,3-7H2,1-2H3
InChIKeyDDLHRGXCENAHNK-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.15
Rot. Bonds4

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

1-(4-methoxybutan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64858973) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-(4-methoxybutan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(4-methoxybutan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64858973
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name1-(4-methoxybutan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCOCCC(C)n1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C12H18F3N3O/c1-8(4-6-19-2)18-10-3-5-16-7-9(10)17-11(18)12(13,14)15/h8,16H,3-7H2,1-2H3
InChIKeyDDLHRGXCENAHNK-UHFFFAOYSA-N
XLogP2.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(4-methoxybutan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64858973) is 1-(4-methoxybutan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(4-methoxybutan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(4-methoxybutan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is COCCC(C)n1c(C(F)(F)F)nc2c1CCNC2.
What is the InChIKey of 1-(4-methoxybutan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is DDLHRGXCENAHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-8(4-6-19-2)18-10-3-5-16-7-9(10)17-11(18)12(13,14)15/h8,16H,3-7H2,1-2H3.
What are the key properties of 1-(4-methoxybutan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(4-methoxybutan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 277.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64858973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).