[2-ethoxy-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol

C7H12N2O3 — CID 141279134

IUPAC[2-ethoxy-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol
SMILESCCOc1nc(CO)c(CO)[nH]1
InChIInChI=1S/C7H12N2O3/c1-2-12-7-8-5(3-10)6(4-11)9-7/h10-11H,2-4H2,1H3,(H,8,9)
InChIKeyAUVNZUWMFHNREJ-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.21
Rot. Bonds4

About [2-ethoxy-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol

[2-ethoxy-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol (PubChem CID 141279134) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is [2-ethoxy-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-ethoxy-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol
PubChem CID141279134
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name[2-ethoxy-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol
SMILESCCOc1nc(CO)c(CO)[nH]1
InChIInChI=1S/C7H12N2O3/c1-2-12-7-8-5(3-10)6(4-11)9-7/h10-11H,2-4H2,1H3,(H,8,9)
InChIKeyAUVNZUWMFHNREJ-UHFFFAOYSA-N
XLogP-0.21
TPSA78.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-ethoxy-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol (CID 141279134) is [2-ethoxy-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-ethoxy-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-ethoxy-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol is CCOc1nc(CO)c(CO)[nH]1.
What is the InChIKey of [2-ethoxy-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol?
The InChIKey is AUVNZUWMFHNREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-2-12-7-8-5(3-10)6(4-11)9-7/h10-11H,2-4H2,1H3,(H,8,9).
What are the key properties of [2-ethoxy-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol?
[2-ethoxy-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol has a molecular weight of 172.18 g/mol, XLogP of -0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 141279134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).