2-cyclopentyl-1-(oxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C17H27N3O — CID 64856641

IUPAC2-cyclopentyl-1-(oxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESC1CCC(Cn2c(C3CCCC3)nc3c2CCNC3)OC1
InChIInChI=1S/C17H27N3O/c1-2-6-13(5-1)17-19-15-11-18-9-8-16(15)20(17)12-14-7-3-4-10-21-14/h13-14,18H,1-12H2
InChIKeyOOIYWCQXCMZWSD-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.76
Rot. Bonds3

About 2-cyclopentyl-1-(oxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

2-cyclopentyl-1-(oxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64856641) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-cyclopentyl-1-(oxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-cyclopentyl-1-(oxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64856641
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-cyclopentyl-1-(oxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESC1CCC(Cn2c(C3CCCC3)nc3c2CCNC3)OC1
InChIInChI=1S/C17H27N3O/c1-2-6-13(5-1)17-19-15-11-18-9-8-16(15)20(17)12-14-7-3-4-10-21-14/h13-14,18H,1-12H2
InChIKeyOOIYWCQXCMZWSD-UHFFFAOYSA-N
XLogP2.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(oxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-cyclopentyl-1-(oxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64856641) is 2-cyclopentyl-1-(oxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-cyclopentyl-1-(oxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-cyclopentyl-1-(oxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is C1CCC(Cn2c(C3CCCC3)nc3c2CCNC3)OC1.
What is the InChIKey of 2-cyclopentyl-1-(oxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is OOIYWCQXCMZWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-6-13(5-1)17-19-15-11-18-9-8-16(15)20(17)12-14-7-3-4-10-21-14/h13-14,18H,1-12H2.
What are the key properties of 2-cyclopentyl-1-(oxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-cyclopentyl-1-(oxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 289.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(oxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64856641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).