(3-propylimidazol-4-yl)methanol

C7H12N2O — CID 22938539

IUPAC(3-propylimidazol-4-yl)methanol
SMILESCCCn1cncc1CO
InChIInChI=1S/C7H12N2O/c1-2-3-9-6-8-4-7(9)5-10/h4,6,10H,2-3,5H2,1H3
InChIKeyZGRDBHVXJTYPTL-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.79
Rot. Bonds3

About (3-propylimidazol-4-yl)methanol

(3-propylimidazol-4-yl)methanol (PubChem CID 22938539) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (3-propylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-propylimidazol-4-yl)methanol
PubChem CID22938539
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(3-propylimidazol-4-yl)methanol
SMILESCCCn1cncc1CO
InChIInChI=1S/C7H12N2O/c1-2-3-9-6-8-4-7(9)5-10/h4,6,10H,2-3,5H2,1H3
InChIKeyZGRDBHVXJTYPTL-UHFFFAOYSA-N
XLogP0.79
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-propylimidazol-4-yl)methanol?
The IUPAC name of (3-propylimidazol-4-yl)methanol (CID 22938539) is (3-propylimidazol-4-yl)methanol.
What is the SMILES notation for (3-propylimidazol-4-yl)methanol?
The canonical SMILES for (3-propylimidazol-4-yl)methanol is CCCn1cncc1CO.
What is the InChIKey of (3-propylimidazol-4-yl)methanol?
The InChIKey is ZGRDBHVXJTYPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-3-9-6-8-4-7(9)5-10/h4,6,10H,2-3,5H2,1H3.
What are the key properties of (3-propylimidazol-4-yl)methanol?
(3-propylimidazol-4-yl)methanol has a molecular weight of 140.19 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propylimidazol-4-yl)methanol is sourced from PubChem (CID 22938539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).