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

C5H8N2O — CID 11480420

IUPAC(2-methyl-1H-imidazol-5-yl)methanol
SMILESCc1ncc(CO)[nH]1
InChIInChI=1S/C5H8N2O/c1-4-6-2-5(3-8)7-4/h2,8H,3H2,1H3,(H,6,7)
InChIKeyMQRMTENGXFRETM-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.21
Rot. Bonds1

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

(2-methyl-1H-imidazol-5-yl)methanol (PubChem CID 11480420) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is (2-methyl-1H-imidazol-5-yl)methanol.

Molecular Properties

Compound Name(2-methyl-1H-imidazol-5-yl)methanol
PubChem CID11480420
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name(2-methyl-1H-imidazol-5-yl)methanol
SMILESCc1ncc(CO)[nH]1
InChIInChI=1S/C5H8N2O/c1-4-6-2-5(3-8)7-4/h2,8H,3H2,1H3,(H,6,7)
InChIKeyMQRMTENGXFRETM-UHFFFAOYSA-N
XLogP0.21
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1H-imidazol-5-yl)methanol?
The IUPAC name of (2-methyl-1H-imidazol-5-yl)methanol (CID 11480420) is (2-methyl-1H-imidazol-5-yl)methanol.
What is the SMILES notation for (2-methyl-1H-imidazol-5-yl)methanol?
The canonical SMILES for (2-methyl-1H-imidazol-5-yl)methanol is Cc1ncc(CO)[nH]1.
What is the InChIKey of (2-methyl-1H-imidazol-5-yl)methanol?
The InChIKey is MQRMTENGXFRETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4-6-2-5(3-8)7-4/h2,8H,3H2,1H3,(H,6,7).
What are the key properties of (2-methyl-1H-imidazol-5-yl)methanol?
(2-methyl-1H-imidazol-5-yl)methanol has a molecular weight of 112.13 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1H-imidazol-5-yl)methanol is sourced from PubChem (CID 11480420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).