5-ethoxy-3-[3-(2-methoxyethoxy)cyclohexyl]-1H-benzimidazol-2-one

C18H26N2O4 — CID 22922554

IUPAC5-ethoxy-3-[3-(2-methoxyethoxy)cyclohexyl]-1H-benzimidazol-2-one
SMILESCCOc1ccc2[nH]c(=O)n(C3CCCC(OCCOC)C3)c2c1
InChIInChI=1S/C18H26N2O4/c1-3-23-15-7-8-16-17(12-15)20(18(21)19-16)13-5-4-6-14(11-13)24-10-9-22-2/h7-8,12-14H,3-6,9-11H2,1-2H3,(H,19,21)
InChIKeyZPSIUTZHEBRAIQ-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.88
Rot. Bonds7

About 5-ethoxy-3-[3-(2-methoxyethoxy)cyclohexyl]-1H-benzimidazol-2-one

5-ethoxy-3-[3-(2-methoxyethoxy)cyclohexyl]-1H-benzimidazol-2-one (PubChem CID 22922554) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-ethoxy-3-[3-(2-methoxyethoxy)cyclohexyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-ethoxy-3-[3-(2-methoxyethoxy)cyclohexyl]-1H-benzimidazol-2-one
PubChem CID22922554
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name5-ethoxy-3-[3-(2-methoxyethoxy)cyclohexyl]-1H-benzimidazol-2-one
SMILESCCOc1ccc2[nH]c(=O)n(C3CCCC(OCCOC)C3)c2c1
InChIInChI=1S/C18H26N2O4/c1-3-23-15-7-8-16-17(12-15)20(18(21)19-16)13-5-4-6-14(11-13)24-10-9-22-2/h7-8,12-14H,3-6,9-11H2,1-2H3,(H,19,21)
InChIKeyZPSIUTZHEBRAIQ-UHFFFAOYSA-N
XLogP2.88
TPSA65.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-ethoxy-3-[3-(2-methoxyethoxy)cyclohexyl]-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

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-[3-(2-methoxyethoxy)cyclohexyl]-1H-benzimidazol-2-one?
The IUPAC name of 5-ethoxy-3-[3-(2-methoxyethoxy)cyclohexyl]-1H-benzimidazol-2-one (CID 22922554) is 5-ethoxy-3-[3-(2-methoxyethoxy)cyclohexyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 5-ethoxy-3-[3-(2-methoxyethoxy)cyclohexyl]-1H-benzimidazol-2-one?
The canonical SMILES for 5-ethoxy-3-[3-(2-methoxyethoxy)cyclohexyl]-1H-benzimidazol-2-one is CCOc1ccc2[nH]c(=O)n(C3CCCC(OCCOC)C3)c2c1.
What is the InChIKey of 5-ethoxy-3-[3-(2-methoxyethoxy)cyclohexyl]-1H-benzimidazol-2-one?
The InChIKey is ZPSIUTZHEBRAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-3-23-15-7-8-16-17(12-15)20(18(21)19-16)13-5-4-6-14(11-13)24-10-9-22-2/h7-8,12-14H,3-6,9-11H2,1-2H3,(H,19,21).
What are the key properties of 5-ethoxy-3-[3-(2-methoxyethoxy)cyclohexyl]-1H-benzimidazol-2-one?
5-ethoxy-3-[3-(2-methoxyethoxy)cyclohexyl]-1H-benzimidazol-2-one has a molecular weight of 334.42 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-[3-(2-methoxyethoxy)cyclohexyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 22922554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).