1H-imidazole;methanol

C4H8N2O — CID 19848330

IUPAC1H-imidazole;methanol
SMILESCO.c1c[nH]cn1
InChIInChI=1S/C3H4N2.CH4O/c1-2-5-3-4-1;1-2/h1-3H,(H,4,5);2H,1H3
InChIKeyAJAVMTJTPWMHAE-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.02
Rot. Bonds

About 1H-imidazole;methanol

1H-imidazole;methanol (PubChem CID 19848330) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 1H-imidazole;methanol.

Molecular Properties

Compound Name1H-imidazole;methanol
PubChem CID19848330
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name1H-imidazole;methanol
SMILESCO.c1c[nH]cn1
InChIInChI=1S/C3H4N2.CH4O/c1-2-5-3-4-1;1-2/h1-3H,(H,4,5);2H,1H3
InChIKeyAJAVMTJTPWMHAE-UHFFFAOYSA-N
XLogP0.02
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;methanol?
The IUPAC name of 1H-imidazole;methanol (CID 19848330) is 1H-imidazole;methanol.
What is the SMILES notation for 1H-imidazole;methanol?
The canonical SMILES for 1H-imidazole;methanol is CO.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;methanol?
The InChIKey is AJAVMTJTPWMHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.CH4O/c1-2-5-3-4-1;1-2/h1-3H,(H,4,5);2H,1H3.
What are the key properties of 1H-imidazole;methanol?
1H-imidazole;methanol has a molecular weight of 100.12 g/mol, XLogP of 0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;methanol is sourced from PubChem (CID 19848330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).