3-imidazol-1-ylpropan-1-ol

C6H10N2O — CID 4712271

IUPAC3-imidazol-1-ylpropan-1-ol
SMILESOCCCn1ccnc1
InChIInChI=1S/C6H10N2O/c9-5-1-3-8-4-2-7-6-8/h2,4,6,9H,1,3,5H2
InChIKeyRYZVYLGJZFNBND-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.27
Rot. Bonds3

About 3-imidazol-1-ylpropan-1-ol

3-imidazol-1-ylpropan-1-ol (PubChem CID 4712271) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 3-imidazol-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-imidazol-1-ylpropan-1-ol
PubChem CID4712271
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name3-imidazol-1-ylpropan-1-ol
SMILESOCCCn1ccnc1
InChIInChI=1S/C6H10N2O/c9-5-1-3-8-4-2-7-6-8/h2,4,6,9H,1,3,5H2
InChIKeyRYZVYLGJZFNBND-UHFFFAOYSA-N
XLogP0.27
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-ylpropan-1-ol?
The IUPAC name of 3-imidazol-1-ylpropan-1-ol (CID 4712271) is 3-imidazol-1-ylpropan-1-ol.
What is the SMILES notation for 3-imidazol-1-ylpropan-1-ol?
The canonical SMILES for 3-imidazol-1-ylpropan-1-ol is OCCCn1ccnc1.
What is the InChIKey of 3-imidazol-1-ylpropan-1-ol?
The InChIKey is RYZVYLGJZFNBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c9-5-1-3-8-4-2-7-6-8/h2,4,6,9H,1,3,5H2.
What are the key properties of 3-imidazol-1-ylpropan-1-ol?
3-imidazol-1-ylpropan-1-ol has a molecular weight of 126.16 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-ylpropan-1-ol is sourced from PubChem (CID 4712271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).