(1-methylimidazol-4-yl)-phenylmethanol

C11H12N2O — CID 3726808

IUPAC(1-methylimidazol-4-yl)-phenylmethanol
SMILESCn1cnc(C(O)c2ccccc2)c1
InChIInChI=1S/C11H12N2O/c1-13-7-10(12-8-13)11(14)9-5-3-2-4-6-9/h2-8,11,14H,1H3
InChIKeyGJKAQXPPDLQGLN-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.50
Rot. Bonds2

About (1-methylimidazol-4-yl)-phenylmethanol

(1-methylimidazol-4-yl)-phenylmethanol (PubChem CID 3726808) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (1-methylimidazol-4-yl)-phenylmethanol.

Molecular Properties

Compound Name(1-methylimidazol-4-yl)-phenylmethanol
PubChem CID3726808
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(1-methylimidazol-4-yl)-phenylmethanol
SMILESCn1cnc(C(O)c2ccccc2)c1
InChIInChI=1S/C11H12N2O/c1-13-7-10(12-8-13)11(14)9-5-3-2-4-6-9/h2-8,11,14H,1H3
InChIKeyGJKAQXPPDLQGLN-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl)-phenylmethanol?
The IUPAC name of (1-methylimidazol-4-yl)-phenylmethanol (CID 3726808) is (1-methylimidazol-4-yl)-phenylmethanol.
What is the SMILES notation for (1-methylimidazol-4-yl)-phenylmethanol?
The canonical SMILES for (1-methylimidazol-4-yl)-phenylmethanol is Cn1cnc(C(O)c2ccccc2)c1.
What is the InChIKey of (1-methylimidazol-4-yl)-phenylmethanol?
The InChIKey is GJKAQXPPDLQGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-13-7-10(12-8-13)11(14)9-5-3-2-4-6-9/h2-8,11,14H,1H3.
What are the key properties of (1-methylimidazol-4-yl)-phenylmethanol?
(1-methylimidazol-4-yl)-phenylmethanol has a molecular weight of 188.23 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-4-yl)-phenylmethanol is sourced from PubChem (CID 3726808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).