4,5-dihydro-1H-imidazole;methanol

C4H10N2O — CID 70025315

IUPAC4,5-dihydro-1H-imidazole;methanol
SMILESC1=NCCN1.CO
InChIInChI=1S/C3H6N2.CH4O/c1-2-5-3-4-1;1-2/h3H,1-2H2,(H,4,5);2H,1H3
InChIKeyLNGFCQCTJLBEGI-UHFFFAOYSA-N
MW102.14 g/mol
LogP-0.77
Rot. Bonds

About 4,5-dihydro-1H-imidazole;methanol

4,5-dihydro-1H-imidazole;methanol (PubChem CID 70025315) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazole;methanol.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazole;methanol
PubChem CID70025315
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Name4,5-dihydro-1H-imidazole;methanol
SMILESC1=NCCN1.CO
InChIInChI=1S/C3H6N2.CH4O/c1-2-5-3-4-1;1-2/h3H,1-2H2,(H,4,5);2H,1H3
InChIKeyLNGFCQCTJLBEGI-UHFFFAOYSA-N
XLogP-0.77
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazole;methanol?
The IUPAC name of 4,5-dihydro-1H-imidazole;methanol (CID 70025315) is 4,5-dihydro-1H-imidazole;methanol.
What is the SMILES notation for 4,5-dihydro-1H-imidazole;methanol?
The canonical SMILES for 4,5-dihydro-1H-imidazole;methanol is C1=NCCN1.CO.
What is the InChIKey of 4,5-dihydro-1H-imidazole;methanol?
The InChIKey is LNGFCQCTJLBEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2.CH4O/c1-2-5-3-4-1;1-2/h3H,1-2H2,(H,4,5);2H,1H3.
What are the key properties of 4,5-dihydro-1H-imidazole;methanol?
4,5-dihydro-1H-imidazole;methanol has a molecular weight of 102.14 g/mol, XLogP of -0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazole;methanol is sourced from PubChem (CID 70025315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).