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

C17H29N3O — CID 64857620

IUPAC2-cyclohexyl-1-(4-methoxybutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCOCCC(C)n1c(C2CCCCC2)nc2c1CCNC2
InChIInChI=1S/C17H29N3O/c1-13(9-11-21-2)20-16-8-10-18-12-15(16)19-17(20)14-6-4-3-5-7-14/h13-14,18H,3-12H2,1-2H3
InChIKeyHDXXIRGGDSSJSY-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.17
Rot. Bonds5

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

2-cyclohexyl-1-(4-methoxybutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64857620) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-cyclohexyl-1-(4-methoxybutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-cyclohexyl-1-(4-methoxybutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64857620
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-cyclohexyl-1-(4-methoxybutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCOCCC(C)n1c(C2CCCCC2)nc2c1CCNC2
InChIInChI=1S/C17H29N3O/c1-13(9-11-21-2)20-16-8-10-18-12-15(16)19-17(20)14-6-4-3-5-7-14/h13-14,18H,3-12H2,1-2H3
InChIKeyHDXXIRGGDSSJSY-UHFFFAOYSA-N
XLogP3.17
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(4-methoxybutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-cyclohexyl-1-(4-methoxybutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64857620) is 2-cyclohexyl-1-(4-methoxybutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-cyclohexyl-1-(4-methoxybutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-cyclohexyl-1-(4-methoxybutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is COCCC(C)n1c(C2CCCCC2)nc2c1CCNC2.
What is the InChIKey of 2-cyclohexyl-1-(4-methoxybutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is HDXXIRGGDSSJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(9-11-21-2)20-16-8-10-18-12-15(16)19-17(20)14-6-4-3-5-7-14/h13-14,18H,3-12H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-(4-methoxybutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-cyclohexyl-1-(4-methoxybutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 291.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(4-methoxybutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64857620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).