2-(diethoxymethyl)-6-fluoro-1-propylbenzimidazole

C15H21FN2O2 — CID 63772335

IUPAC2-(diethoxymethyl)-6-fluoro-1-propylbenzimidazole
SMILESCCCn1c(C(OCC)OCC)nc2ccc(F)cc21
InChIInChI=1S/C15H21FN2O2/c1-4-9-18-13-10-11(16)7-8-12(13)17-14(18)15(19-5-2)20-6-3/h7-8,10,15H,4-6,9H2,1-3H3
InChIKeyJBEYQUZFZAVFPJ-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.66
Rot. Bonds7

About 2-(diethoxymethyl)-6-fluoro-1-propylbenzimidazole

2-(diethoxymethyl)-6-fluoro-1-propylbenzimidazole (PubChem CID 63772335) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-(diethoxymethyl)-6-fluoro-1-propylbenzimidazole.

Molecular Properties

Compound Name2-(diethoxymethyl)-6-fluoro-1-propylbenzimidazole
PubChem CID63772335
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-(diethoxymethyl)-6-fluoro-1-propylbenzimidazole
SMILESCCCn1c(C(OCC)OCC)nc2ccc(F)cc21
InChIInChI=1S/C15H21FN2O2/c1-4-9-18-13-10-11(16)7-8-12(13)17-14(18)15(19-5-2)20-6-3/h7-8,10,15H,4-6,9H2,1-3H3
InChIKeyJBEYQUZFZAVFPJ-UHFFFAOYSA-N
XLogP3.66
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(diethoxymethyl)-6-fluoro-1-propylbenzimidazole 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 2-(diethoxymethyl)-6-fluoro-1-propylbenzimidazole?
The IUPAC name of 2-(diethoxymethyl)-6-fluoro-1-propylbenzimidazole (CID 63772335) is 2-(diethoxymethyl)-6-fluoro-1-propylbenzimidazole.
What is the SMILES notation for 2-(diethoxymethyl)-6-fluoro-1-propylbenzimidazole?
The canonical SMILES for 2-(diethoxymethyl)-6-fluoro-1-propylbenzimidazole is CCCn1c(C(OCC)OCC)nc2ccc(F)cc21.
What is the InChIKey of 2-(diethoxymethyl)-6-fluoro-1-propylbenzimidazole?
The InChIKey is JBEYQUZFZAVFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-4-9-18-13-10-11(16)7-8-12(13)17-14(18)15(19-5-2)20-6-3/h7-8,10,15H,4-6,9H2,1-3H3.
What are the key properties of 2-(diethoxymethyl)-6-fluoro-1-propylbenzimidazole?
2-(diethoxymethyl)-6-fluoro-1-propylbenzimidazole has a molecular weight of 280.34 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxymethyl)-6-fluoro-1-propylbenzimidazole is sourced from PubChem (CID 63772335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).