2-(diethoxymethyl)-6-fluoro-1-propan-2-ylbenzimidazole

C15H21FN2O2 — CID 63772180

IUPAC2-(diethoxymethyl)-6-fluoro-1-propan-2-ylbenzimidazole
SMILESCCOC(OCC)c1nc2ccc(F)cc2n1C(C)C
InChIInChI=1S/C15H21FN2O2/c1-5-19-15(20-6-2)14-17-12-8-7-11(16)9-13(12)18(14)10(3)4/h7-10,15H,5-6H2,1-4H3
InChIKeyGRONGAREPHFETQ-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.83
Rot. Bonds6

About 2-(diethoxymethyl)-6-fluoro-1-propan-2-ylbenzimidazole

2-(diethoxymethyl)-6-fluoro-1-propan-2-ylbenzimidazole (PubChem CID 63772180) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-(diethoxymethyl)-6-fluoro-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name2-(diethoxymethyl)-6-fluoro-1-propan-2-ylbenzimidazole
PubChem CID63772180
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-(diethoxymethyl)-6-fluoro-1-propan-2-ylbenzimidazole
SMILESCCOC(OCC)c1nc2ccc(F)cc2n1C(C)C
InChIInChI=1S/C15H21FN2O2/c1-5-19-15(20-6-2)14-17-12-8-7-11(16)9-13(12)18(14)10(3)4/h7-10,15H,5-6H2,1-4H3
InChIKeyGRONGAREPHFETQ-UHFFFAOYSA-N
XLogP3.83
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diethoxymethyl)-6-fluoro-1-propan-2-ylbenzimidazole?
The IUPAC name of 2-(diethoxymethyl)-6-fluoro-1-propan-2-ylbenzimidazole (CID 63772180) is 2-(diethoxymethyl)-6-fluoro-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 2-(diethoxymethyl)-6-fluoro-1-propan-2-ylbenzimidazole?
The canonical SMILES for 2-(diethoxymethyl)-6-fluoro-1-propan-2-ylbenzimidazole is CCOC(OCC)c1nc2ccc(F)cc2n1C(C)C.
What is the InChIKey of 2-(diethoxymethyl)-6-fluoro-1-propan-2-ylbenzimidazole?
The InChIKey is GRONGAREPHFETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-5-19-15(20-6-2)14-17-12-8-7-11(16)9-13(12)18(14)10(3)4/h7-10,15H,5-6H2,1-4H3.
What are the key properties of 2-(diethoxymethyl)-6-fluoro-1-propan-2-ylbenzimidazole?
2-(diethoxymethyl)-6-fluoro-1-propan-2-ylbenzimidazole has a molecular weight of 280.34 g/mol, XLogP of 3.83, 6 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-propan-2-ylbenzimidazole is sourced from PubChem (CID 63772180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).