3-[5-(hydroxymethyl)imidazol-1-yl]propan-1-ol

C7H12N2O2 — CID 22988642

IUPAC3-[5-(hydroxymethyl)imidazol-1-yl]propan-1-ol
SMILESOCCCn1cncc1CO
InChIInChI=1S/C7H12N2O2/c10-3-1-2-9-6-8-4-7(9)5-11/h4,6,10-11H,1-3,5H2
InChIKeyKIVIVOVVCVNJLD-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.24
Rot. Bonds4

About 3-[5-(hydroxymethyl)imidazol-1-yl]propan-1-ol

3-[5-(hydroxymethyl)imidazol-1-yl]propan-1-ol (PubChem CID 22988642) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 3-[5-(hydroxymethyl)imidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(hydroxymethyl)imidazol-1-yl]propan-1-ol
PubChem CID22988642
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name3-[5-(hydroxymethyl)imidazol-1-yl]propan-1-ol
SMILESOCCCn1cncc1CO
InChIInChI=1S/C7H12N2O2/c10-3-1-2-9-6-8-4-7(9)5-11/h4,6,10-11H,1-3,5H2
InChIKeyKIVIVOVVCVNJLD-UHFFFAOYSA-N
XLogP-0.24
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(5,5,5-trifluoropentyl)imidazol-4-yl]methanol
CID 115522977
[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methanol
CID 114541583
[3-[3-(N-methylanilino)propyl]imidazol-4-yl]methanol
CID 66149149
3-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide
CID 66150409
N-[(3-butylimidazol-4-yl)methyl]ethanamine
CID 66146486
3-(3-methylimidazol-4-yl)propan-1-ol
CID 45087839
[3-(cyclobutylmethyl)imidazol-4-yl]methanol
CID 66150823
5-(chloromethyl)-1-(3-fluoropropyl)imidazole
CID 130504730
3-[5-(hydroxymethyl)imidazol-1-yl]-N-propylpropanamide
CID 66150619
[3-(cyclooctatetraenylmethyl)imidazol-4-yl]methanol
CID 90732489
N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66146275
[4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol
CID 107230142

Frequently Asked Questions

What is the IUPAC name of 3-[5-(hydroxymethyl)imidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5-(hydroxymethyl)imidazol-1-yl]propan-1-ol (CID 22988642) is 3-[5-(hydroxymethyl)imidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(hydroxymethyl)imidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5-(hydroxymethyl)imidazol-1-yl]propan-1-ol is OCCCn1cncc1CO.
What is the InChIKey of 3-[5-(hydroxymethyl)imidazol-1-yl]propan-1-ol?
The InChIKey is KIVIVOVVCVNJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c10-3-1-2-9-6-8-4-7(9)5-11/h4,6,10-11H,1-3,5H2.
What are the key properties of 3-[5-(hydroxymethyl)imidazol-1-yl]propan-1-ol?
3-[5-(hydroxymethyl)imidazol-1-yl]propan-1-ol has a molecular weight of 156.19 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(hydroxymethyl)imidazol-1-yl]propan-1-ol is sourced from PubChem (CID 22988642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).