[3-(5-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]methanol

C18H23N3O — CID 91777581

IUPAC[3-(5-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]methanol
SMILESOCc1cccc(-c2nc3c([nH]2)CN(C2CCCC2)CC3)c1
InChIInChI=1S/C18H23N3O/c22-12-13-4-3-5-14(10-13)18-19-16-8-9-21(11-17(16)20-18)15-6-1-2-7-15/h3-5,10,15,22H,1-2,6-9,11-12H2,(H,19,20)
InChIKeyNCALWQMRTMSWJF-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.87
Rot. Bonds3

About [3-(5-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]methanol

[3-(5-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]methanol (PubChem CID 91777581) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is [3-(5-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(5-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]methanol
PubChem CID91777581
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name[3-(5-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]methanol
SMILESOCc1cccc(-c2nc3c([nH]2)CN(C2CCCC2)CC3)c1
InChIInChI=1S/C18H23N3O/c22-12-13-4-3-5-14(10-13)18-19-16-8-9-21(11-17(16)20-18)15-6-1-2-7-15/h3-5,10,15,22H,1-2,6-9,11-12H2,(H,19,20)
InChIKeyNCALWQMRTMSWJF-UHFFFAOYSA-N
XLogP2.87
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(5-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]methanol?
The IUPAC name of [3-(5-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]methanol (CID 91777581) is [3-(5-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]methanol.
What is the SMILES notation for [3-(5-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]methanol?
The canonical SMILES for [3-(5-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]methanol is OCc1cccc(-c2nc3c([nH]2)CN(C2CCCC2)CC3)c1.
What is the InChIKey of [3-(5-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]methanol?
The InChIKey is NCALWQMRTMSWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c22-12-13-4-3-5-14(10-13)18-19-16-8-9-21(11-17(16)20-18)15-6-1-2-7-15/h3-5,10,15,22H,1-2,6-9,11-12H2,(H,19,20).
What are the key properties of [3-(5-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]methanol?
[3-(5-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]methanol has a molecular weight of 297.40 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]methanol is sourced from PubChem (CID 91777581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).