cyclopentyl-(3-methylimidazol-4-yl)methanol

C10H16N2O — CID 66118415

IUPACcyclopentyl-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)C1CCCC1
InChIInChI=1S/C10H16N2O/c1-12-7-11-6-9(12)10(13)8-4-2-3-5-8/h6-8,10,13H,2-5H2,1H3
InChIKeyITUTYOXHRNQQTF-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.64
Rot. Bonds2

About cyclopentyl-(3-methylimidazol-4-yl)methanol

cyclopentyl-(3-methylimidazol-4-yl)methanol (PubChem CID 66118415) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is cyclopentyl-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Namecyclopentyl-(3-methylimidazol-4-yl)methanol
PubChem CID66118415
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Namecyclopentyl-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)C1CCCC1
InChIInChI=1S/C10H16N2O/c1-12-7-11-6-9(12)10(13)8-4-2-3-5-8/h6-8,10,13H,2-5H2,1H3
InChIKeyITUTYOXHRNQQTF-UHFFFAOYSA-N
XLogP1.64
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(3-methylimidazol-4-yl)methanol?
The IUPAC name of cyclopentyl-(3-methylimidazol-4-yl)methanol (CID 66118415) is cyclopentyl-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for cyclopentyl-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for cyclopentyl-(3-methylimidazol-4-yl)methanol is Cn1cncc1C(O)C1CCCC1.
What is the InChIKey of cyclopentyl-(3-methylimidazol-4-yl)methanol?
The InChIKey is ITUTYOXHRNQQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12-7-11-6-9(12)10(13)8-4-2-3-5-8/h6-8,10,13H,2-5H2,1H3.
What are the key properties of cyclopentyl-(3-methylimidazol-4-yl)methanol?
cyclopentyl-(3-methylimidazol-4-yl)methanol has a molecular weight of 180.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 66118415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).