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

C17H29N3 — CID 64856765

IUPAC1-[(1-methylcyclopentyl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)Cc1nc2c(n1CC1(C)CCCC1)CCNC2
InChIInChI=1S/C17H29N3/c1-13(2)10-16-19-14-11-18-9-6-15(14)20(16)12-17(3)7-4-5-8-17/h13,18H,4-12H2,1-3H3
InChIKeyOSLWSIIHOCQKBQ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.31
Rot. Bonds4

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

1-[(1-methylcyclopentyl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64856765) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[(1-methylcyclopentyl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[(1-methylcyclopentyl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64856765
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-[(1-methylcyclopentyl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)Cc1nc2c(n1CC1(C)CCCC1)CCNC2
InChIInChI=1S/C17H29N3/c1-13(2)10-16-19-14-11-18-9-6-15(14)20(16)12-17(3)7-4-5-8-17/h13,18H,4-12H2,1-3H3
InChIKeyOSLWSIIHOCQKBQ-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylcyclopentyl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-[(1-methylcyclopentyl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64856765) is 1-[(1-methylcyclopentyl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[(1-methylcyclopentyl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-[(1-methylcyclopentyl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC(C)Cc1nc2c(n1CC1(C)CCCC1)CCNC2.
What is the InChIKey of 1-[(1-methylcyclopentyl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is OSLWSIIHOCQKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-13(2)10-16-19-14-11-18-9-6-15(14)20(16)12-17(3)7-4-5-8-17/h13,18H,4-12H2,1-3H3.
What are the key properties of 1-[(1-methylcyclopentyl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-[(1-methylcyclopentyl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 275.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylcyclopentyl)methyl]-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64856765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).