(1-cyclopentylimidazol-4-yl)methanol

C9H14N2O — CID 130482080

IUPAC(1-cyclopentylimidazol-4-yl)methanol
SMILESOCc1cn(C2CCCC2)cn1
InChIInChI=1S/C9H14N2O/c12-6-8-5-11(7-10-8)9-3-1-2-4-9/h5,7,9,12H,1-4,6H2
InChIKeyGSVGNEPDSAJMID-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.49
Rot. Bonds2

About (1-cyclopentylimidazol-4-yl)methanol

(1-cyclopentylimidazol-4-yl)methanol (PubChem CID 130482080) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (1-cyclopentylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(1-cyclopentylimidazol-4-yl)methanol
PubChem CID130482080
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(1-cyclopentylimidazol-4-yl)methanol
SMILESOCc1cn(C2CCCC2)cn1
InChIInChI=1S/C9H14N2O/c12-6-8-5-11(7-10-8)9-3-1-2-4-9/h5,7,9,12H,1-4,6H2
InChIKeyGSVGNEPDSAJMID-UHFFFAOYSA-N
XLogP1.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopentylimidazol-4-yl)methanol?
The IUPAC name of (1-cyclopentylimidazol-4-yl)methanol (CID 130482080) is (1-cyclopentylimidazol-4-yl)methanol.
What is the SMILES notation for (1-cyclopentylimidazol-4-yl)methanol?
The canonical SMILES for (1-cyclopentylimidazol-4-yl)methanol is OCc1cn(C2CCCC2)cn1.
What is the InChIKey of (1-cyclopentylimidazol-4-yl)methanol?
The InChIKey is GSVGNEPDSAJMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c12-6-8-5-11(7-10-8)9-3-1-2-4-9/h5,7,9,12H,1-4,6H2.
What are the key properties of (1-cyclopentylimidazol-4-yl)methanol?
(1-cyclopentylimidazol-4-yl)methanol has a molecular weight of 166.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentylimidazol-4-yl)methanol is sourced from PubChem (CID 130482080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).