4,5-difluoro-3-[2-(2-hydroxyethoxy)ethyl]-1H-benzimidazol-2-one

C11H12F2N2O3 — CID 110491289

IUPAC4,5-difluoro-3-[2-(2-hydroxyethoxy)ethyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(F)c(F)c2n1CCOCCO
InChIInChI=1S/C11H12F2N2O3/c12-7-1-2-8-10(9(7)13)15(11(17)14-8)3-5-18-6-4-16/h1-2,16H,3-6H2,(H,14,17)
InChIKeyPKHNAYKDPCRSLQ-UHFFFAOYSA-N
MW258.22 g/mol
LogP0.62
Rot. Bonds5

About 4,5-difluoro-3-[2-(2-hydroxyethoxy)ethyl]-1H-benzimidazol-2-one

4,5-difluoro-3-[2-(2-hydroxyethoxy)ethyl]-1H-benzimidazol-2-one (PubChem CID 110491289) has the molecular formula C11H12F2N2O3 and a molecular weight of 258.22 g/mol. Its IUPAC name is 4,5-difluoro-3-[2-(2-hydroxyethoxy)ethyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4,5-difluoro-3-[2-(2-hydroxyethoxy)ethyl]-1H-benzimidazol-2-one
PubChem CID110491289
Molecular FormulaC11H12F2N2O3
Molecular Weight258.22 g/mol
Exact Mass258.08
IUPAC Name4,5-difluoro-3-[2-(2-hydroxyethoxy)ethyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(F)c(F)c2n1CCOCCO
InChIInChI=1S/C11H12F2N2O3/c12-7-1-2-8-10(9(7)13)15(11(17)14-8)3-5-18-6-4-16/h1-2,16H,3-6H2,(H,14,17)
InChIKeyPKHNAYKDPCRSLQ-UHFFFAOYSA-N
XLogP0.62
TPSA67.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,5-difluoro-3-[2-(2-hydroxyethoxy)ethyl]-1H-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

4,5-difluoro-3-methyl-1H-benzimidazol-2-one
CID 83415019
3-(2-but-3-enoxyethyl)-4,5-difluoro-1H-benzimidazole-2-thione
CID 106405784
4,5-difluoro-3-(1H-pyrrol-2-ylmethyl)-1H-benzimidazol-2-one
CID 110491294
4,5-difluoro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione
CID 62532191
4,5-difluoro-3-propan-2-yl-1H-benzimidazol-2-one
CID 83418165
3-cyclopropyl-4,5-difluoro-1H-benzimidazol-2-one
CID 83415043
2-(6,7-difluoro-2-oxo-3H-benzimidazol-1-yl)butanoic acid
CID 110491281
3-(2-methoxyethyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117208518
6-[2-(2-hydroxyethoxy)ethyl]benzo[d][2]benzazepine-5,7-dione
CID 43949881
6-chloro-3-(2-hydroxyethyl)-1H-benzimidazol-2-one
CID 21424819
3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-[(2,3,4-trifluorophenyl)sulfonylamino]acetate
CID 16519820
3-cycloheptyl-4,5-difluoro-1H-benzimidazol-2-one
CID 110491329

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-3-[2-(2-hydroxyethoxy)ethyl]-1H-benzimidazol-2-one?
The IUPAC name of 4,5-difluoro-3-[2-(2-hydroxyethoxy)ethyl]-1H-benzimidazol-2-one (CID 110491289) is 4,5-difluoro-3-[2-(2-hydroxyethoxy)ethyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 4,5-difluoro-3-[2-(2-hydroxyethoxy)ethyl]-1H-benzimidazol-2-one?
The canonical SMILES for 4,5-difluoro-3-[2-(2-hydroxyethoxy)ethyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccc(F)c(F)c2n1CCOCCO.
What is the InChIKey of 4,5-difluoro-3-[2-(2-hydroxyethoxy)ethyl]-1H-benzimidazol-2-one?
The InChIKey is PKHNAYKDPCRSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3/c12-7-1-2-8-10(9(7)13)15(11(17)14-8)3-5-18-6-4-16/h1-2,16H,3-6H2,(H,14,17).
What are the key properties of 4,5-difluoro-3-[2-(2-hydroxyethoxy)ethyl]-1H-benzimidazol-2-one?
4,5-difluoro-3-[2-(2-hydroxyethoxy)ethyl]-1H-benzimidazol-2-one has a molecular weight of 258.22 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-3-[2-(2-hydroxyethoxy)ethyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 110491289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).