2,3-dihydro-1H-imidazol-2-ylmethanol

C4H8N2O — CID 58581773

IUPAC2,3-dihydro-1H-imidazol-2-ylmethanol
SMILESOCC1NC=CN1
InChIInChI=1S/C4H8N2O/c7-3-4-5-1-2-6-4/h1-2,4-7H,3H2
InChIKeyBQHAKAZJFJRVOA-UHFFFAOYSA-N
MW100.12 g/mol
LogP-1.03
Rot. Bonds1

About 2,3-dihydro-1H-imidazol-2-ylmethanol

2,3-dihydro-1H-imidazol-2-ylmethanol (PubChem CID 58581773) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 2,3-dihydro-1H-imidazol-2-ylmethanol.

Molecular Properties

Compound Name2,3-dihydro-1H-imidazol-2-ylmethanol
PubChem CID58581773
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name2,3-dihydro-1H-imidazol-2-ylmethanol
SMILESOCC1NC=CN1
InChIInChI=1S/C4H8N2O/c7-3-4-5-1-2-6-4/h1-2,4-7H,3H2
InChIKeyBQHAKAZJFJRVOA-UHFFFAOYSA-N
XLogP-1.03
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-imidazol-2-ylmethanol?
The IUPAC name of 2,3-dihydro-1H-imidazol-2-ylmethanol (CID 58581773) is 2,3-dihydro-1H-imidazol-2-ylmethanol.
What is the SMILES notation for 2,3-dihydro-1H-imidazol-2-ylmethanol?
The canonical SMILES for 2,3-dihydro-1H-imidazol-2-ylmethanol is OCC1NC=CN1.
What is the InChIKey of 2,3-dihydro-1H-imidazol-2-ylmethanol?
The InChIKey is BQHAKAZJFJRVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c7-3-4-5-1-2-6-4/h1-2,4-7H,3H2.
What are the key properties of 2,3-dihydro-1H-imidazol-2-ylmethanol?
2,3-dihydro-1H-imidazol-2-ylmethanol has a molecular weight of 100.12 g/mol, XLogP of -1.03, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-imidazol-2-ylmethanol is sourced from PubChem (CID 58581773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).