4-(2-hydroxyethyl)benzimidazol-2-one

C9H8N2O2 — CID 141405432

IUPAC4-(2-hydroxyethyl)benzimidazol-2-one
SMILESO=C1N=c2cccc(CCO)c2=N1
InChIInChI=1S/C9H8N2O2/c12-5-4-6-2-1-3-7-8(6)11-9(13)10-7/h1-3,12H,4-5H2
InChIKeyKFYMFWLLQFOGRI-UHFFFAOYSA-N
MW176.17 g/mol
LogP-0.41
Rot. Bonds2

About 4-(2-hydroxyethyl)benzimidazol-2-one

4-(2-hydroxyethyl)benzimidazol-2-one (PubChem CID 141405432) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)benzimidazol-2-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)benzimidazol-2-one
PubChem CID141405432
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name4-(2-hydroxyethyl)benzimidazol-2-one
SMILESO=C1N=c2cccc(CCO)c2=N1
InChIInChI=1S/C9H8N2O2/c12-5-4-6-2-1-3-7-8(6)11-9(13)10-7/h1-3,12H,4-5H2
InChIKeyKFYMFWLLQFOGRI-UHFFFAOYSA-N
XLogP-0.41
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-hydroxyethyl)benzimidazol-2-one with MolForge

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

Launch Full Analysis

Related Compounds

4-(3-hydroxy-3-methylbutyl)benzimidazol-2-one
CID 175028789
2-bromo-3-(2-hydroxyethyl)phenol
CID 141056029
2-bromo-6-(2-hydroxyethyl)phenol
CID 57283538
2-(3-bromo-2H-indazol-4-yl)ethanol
CID 117354283
2-(2-bromo-1,3-benzothiazol-4-yl)ethanol
CID 18984453
2-(2-bromo-3-pyridinyl)ethanol
CID 87594301
2-(3-bromo-2-fluorophenyl)ethanol
CID 59290439
2-[5-(2-hydroxyethyl)phenanthren-4-yl]ethanol
CID 87369855
2-(2-hydroxyethyl)-6-(hydroxymethyl)phenol
CID 117276602
2-[2-(aminomethyl)-3-(2-hydroxyethyl)phenyl]ethanol
CID 23064642
2-(2,3-diiodophenyl)ethanol
CID 155025803
1-(2-hydroxyethyl)-5-phenylanthracene-9,10-dione
CID 90195463

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)benzimidazol-2-one?
The IUPAC name of 4-(2-hydroxyethyl)benzimidazol-2-one (CID 141405432) is 4-(2-hydroxyethyl)benzimidazol-2-one.
What is the SMILES notation for 4-(2-hydroxyethyl)benzimidazol-2-one?
The canonical SMILES for 4-(2-hydroxyethyl)benzimidazol-2-one is O=C1N=c2cccc(CCO)c2=N1.
What is the InChIKey of 4-(2-hydroxyethyl)benzimidazol-2-one?
The InChIKey is KFYMFWLLQFOGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-5-4-6-2-1-3-7-8(6)11-9(13)10-7/h1-3,12H,4-5H2.
What are the key properties of 4-(2-hydroxyethyl)benzimidazol-2-one?
4-(2-hydroxyethyl)benzimidazol-2-one has a molecular weight of 176.17 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)benzimidazol-2-one is sourced from PubChem (CID 141405432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).