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

C10H16N4O2 — CID 158226967

IUPAC(2-methyl-1H-imidazol-5-yl)methanol
SMILESCc1ncc(CO)[nH]1.Cc1ncc(CO)[nH]1
InChIInChI=1S/2C5H8N2O/c2*1-4-6-2-5(3-8)7-4/h2*2,8H,3H2,1H3,(H,6,7)
InChIKeyGDXJITSQNXAETL-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.42
Rot. Bonds2

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

(2-methyl-1H-imidazol-5-yl)methanol (PubChem CID 158226967) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 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 CID158226967
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name(2-methyl-1H-imidazol-5-yl)methanol
SMILESCc1ncc(CO)[nH]1.Cc1ncc(CO)[nH]1
InChIInChI=1S/2C5H8N2O/c2*1-4-6-2-5(3-8)7-4/h2*2,8H,3H2,1H3,(H,6,7)
InChIKeyGDXJITSQNXAETL-UHFFFAOYSA-N
XLogP0.42
TPSA97.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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 158226967) 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.Cc1ncc(CO)[nH]1.
What is the InChIKey of (2-methyl-1H-imidazol-5-yl)methanol?
The InChIKey is GDXJITSQNXAETL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8N2O/c2*1-4-6-2-5(3-8)7-4/h2*2,8H,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 224.26 g/mol, XLogP of 0.42, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1H-imidazol-5-yl)methanol is sourced from PubChem (CID 158226967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).