1-benzyl-2-methylimidazol-4-ol

C11H12N2O — CID 54554328

IUPAC1-benzyl-2-methylimidazol-4-ol
SMILESCc1nc(O)cn1Cc1ccccc1
InChIInChI=1S/C11H12N2O/c1-9-12-11(14)8-13(9)7-10-5-3-2-4-6-10/h2-6,8,14H,7H2,1H3
InChIKeyZMCGKIKEVKWONE-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.95
Rot. Bonds2

About 1-benzyl-2-methylimidazol-4-ol

1-benzyl-2-methylimidazol-4-ol (PubChem CID 54554328) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-benzyl-2-methylimidazol-4-ol.

Molecular Properties

Compound Name1-benzyl-2-methylimidazol-4-ol
PubChem CID54554328
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-benzyl-2-methylimidazol-4-ol
SMILESCc1nc(O)cn1Cc1ccccc1
InChIInChI=1S/C11H12N2O/c1-9-12-11(14)8-13(9)7-10-5-3-2-4-6-10/h2-6,8,14H,7H2,1H3
InChIKeyZMCGKIKEVKWONE-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methylimidazol-4-ol?
The IUPAC name of 1-benzyl-2-methylimidazol-4-ol (CID 54554328) is 1-benzyl-2-methylimidazol-4-ol.
What is the SMILES notation for 1-benzyl-2-methylimidazol-4-ol?
The canonical SMILES for 1-benzyl-2-methylimidazol-4-ol is Cc1nc(O)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-methylimidazol-4-ol?
The InChIKey is ZMCGKIKEVKWONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-9-12-11(14)8-13(9)7-10-5-3-2-4-6-10/h2-6,8,14H,7H2,1H3.
What are the key properties of 1-benzyl-2-methylimidazol-4-ol?
1-benzyl-2-methylimidazol-4-ol has a molecular weight of 188.23 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methylimidazol-4-ol is sourced from PubChem (CID 54554328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).