[5-(hydroxymethyl)-1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]methanol

C10H18N2O4 — CID 20735887

IUPAC[5-(hydroxymethyl)-1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]methanol
SMILESCOCCOCCn1cnc(CO)c1CO
InChIInChI=1S/C10H18N2O4/c1-15-4-5-16-3-2-12-8-11-9(6-13)10(12)7-14/h8,13-14H,2-7H2,1H3
InChIKeyCYJJDHKIEDHJRY-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.47
Rot. Bonds8

About [5-(hydroxymethyl)-1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]methanol

[5-(hydroxymethyl)-1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]methanol (PubChem CID 20735887) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is [5-(hydroxymethyl)-1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)-1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]methanol
PubChem CID20735887
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name[5-(hydroxymethyl)-1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]methanol
SMILESCOCCOCCn1cnc(CO)c1CO
InChIInChI=1S/C10H18N2O4/c1-15-4-5-16-3-2-12-8-11-9(6-13)10(12)7-14/h8,13-14H,2-7H2,1H3
InChIKeyCYJJDHKIEDHJRY-UHFFFAOYSA-N
XLogP-0.47
TPSA76.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [5-(hydroxymethyl)-1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]methanol?
The IUPAC name of [5-(hydroxymethyl)-1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]methanol (CID 20735887) is [5-(hydroxymethyl)-1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)-1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]methanol?
The canonical SMILES for [5-(hydroxymethyl)-1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]methanol is COCCOCCn1cnc(CO)c1CO.
What is the InChIKey of [5-(hydroxymethyl)-1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]methanol?
The InChIKey is CYJJDHKIEDHJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-15-4-5-16-3-2-12-8-11-9(6-13)10(12)7-14/h8,13-14H,2-7H2,1H3.
What are the key properties of [5-(hydroxymethyl)-1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]methanol?
[5-(hydroxymethyl)-1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]methanol has a molecular weight of 230.26 g/mol, XLogP of -0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]methanol is sourced from PubChem (CID 20735887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).