(3-benzylimidazol-4-yl)methanol

C11H12N2O — CID 2773235

IUPAC(3-benzylimidazol-4-yl)methanol
SMILESOCc1cncn1Cc1ccccc1
InChIInChI=1S/C11H12N2O/c14-8-11-6-12-9-13(11)7-10-4-2-1-3-5-10/h1-6,9,14H,7-8H2
InChIKeyGQZILHANXWXTIW-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.42
Rot. Bonds3

About (3-benzylimidazol-4-yl)methanol

(3-benzylimidazol-4-yl)methanol (PubChem CID 2773235) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (3-benzylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-benzylimidazol-4-yl)methanol
PubChem CID2773235
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(3-benzylimidazol-4-yl)methanol
SMILESOCc1cncn1Cc1ccccc1
InChIInChI=1S/C11H12N2O/c14-8-11-6-12-9-13(11)7-10-4-2-1-3-5-10/h1-6,9,14H,7-8H2
InChIKeyGQZILHANXWXTIW-UHFFFAOYSA-N
XLogP1.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-benzylimidazol-4-yl)methanol?
The IUPAC name of (3-benzylimidazol-4-yl)methanol (CID 2773235) is (3-benzylimidazol-4-yl)methanol.
What is the SMILES notation for (3-benzylimidazol-4-yl)methanol?
The canonical SMILES for (3-benzylimidazol-4-yl)methanol is OCc1cncn1Cc1ccccc1.
What is the InChIKey of (3-benzylimidazol-4-yl)methanol?
The InChIKey is GQZILHANXWXTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-8-11-6-12-9-13(11)7-10-4-2-1-3-5-10/h1-6,9,14H,7-8H2.
What are the key properties of (3-benzylimidazol-4-yl)methanol?
(3-benzylimidazol-4-yl)methanol has a molecular weight of 188.23 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylimidazol-4-yl)methanol is sourced from PubChem (CID 2773235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).