(2-benzyl-1H-imidazol-5-yl)methanol

C11H12N2O — CID 13011243

IUPAC(2-benzyl-1H-imidazol-5-yl)methanol
SMILESOCc1cnc(Cc2ccccc2)[nH]1
InChIInChI=1S/C11H12N2O/c14-8-10-7-12-11(13-10)6-9-4-2-1-3-5-9/h1-5,7,14H,6,8H2,(H,12,13)
InChIKeyXMKYXMNRMGDDGL-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.49
Rot. Bonds3

About (2-benzyl-1H-imidazol-5-yl)methanol

(2-benzyl-1H-imidazol-5-yl)methanol (PubChem CID 13011243) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (2-benzyl-1H-imidazol-5-yl)methanol.

Molecular Properties

Compound Name(2-benzyl-1H-imidazol-5-yl)methanol
PubChem CID13011243
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(2-benzyl-1H-imidazol-5-yl)methanol
SMILESOCc1cnc(Cc2ccccc2)[nH]1
InChIInChI=1S/C11H12N2O/c14-8-10-7-12-11(13-10)6-9-4-2-1-3-5-9/h1-5,7,14H,6,8H2,(H,12,13)
InChIKeyXMKYXMNRMGDDGL-UHFFFAOYSA-N
XLogP1.49
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-benzyl-1H-imidazol-5-yl)methanol?
The IUPAC name of (2-benzyl-1H-imidazol-5-yl)methanol (CID 13011243) is (2-benzyl-1H-imidazol-5-yl)methanol.
What is the SMILES notation for (2-benzyl-1H-imidazol-5-yl)methanol?
The canonical SMILES for (2-benzyl-1H-imidazol-5-yl)methanol is OCc1cnc(Cc2ccccc2)[nH]1.
What is the InChIKey of (2-benzyl-1H-imidazol-5-yl)methanol?
The InChIKey is XMKYXMNRMGDDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-8-10-7-12-11(13-10)6-9-4-2-1-3-5-9/h1-5,7,14H,6,8H2,(H,12,13).
What are the key properties of (2-benzyl-1H-imidazol-5-yl)methanol?
(2-benzyl-1H-imidazol-5-yl)methanol has a molecular weight of 188.23 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-1H-imidazol-5-yl)methanol is sourced from PubChem (CID 13011243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).