3-ethyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinolin-2-one

C23H24FN3O — CID 23517072

IUPAC3-ethyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinolin-2-one
SMILESCCc1cc2ccccc2n(Cc2nc3ccccc3n2CCCCF)c1=O
InChIInChI=1S/C23H24FN3O/c1-2-17-15-18-9-3-5-11-20(18)27(23(17)28)16-22-25-19-10-4-6-12-21(19)26(22)14-8-7-13-24/h3-6,9-12,15H,2,7-8,13-14,16H2,1H3
InChIKeyOOIUDXRPYLPBHR-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.71
Rot. Bonds7

About 3-ethyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinolin-2-one

3-ethyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinolin-2-one (PubChem CID 23517072) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is 3-ethyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinolin-2-one.

Molecular Properties

Compound Name3-ethyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinolin-2-one
PubChem CID23517072
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name3-ethyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinolin-2-one
SMILESCCc1cc2ccccc2n(Cc2nc3ccccc3n2CCCCF)c1=O
InChIInChI=1S/C23H24FN3O/c1-2-17-15-18-9-3-5-11-20(18)27(23(17)28)16-22-25-19-10-4-6-12-21(19)26(22)14-8-7-13-24/h3-6,9-12,15H,2,7-8,13-14,16H2,1H3
InChIKeyOOIUDXRPYLPBHR-UHFFFAOYSA-N
XLogP4.71
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinolin-2-one?
The IUPAC name of 3-ethyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinolin-2-one (CID 23517072) is 3-ethyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinolin-2-one.
What is the SMILES notation for 3-ethyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinolin-2-one?
The canonical SMILES for 3-ethyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinolin-2-one is CCc1cc2ccccc2n(Cc2nc3ccccc3n2CCCCF)c1=O.
What is the InChIKey of 3-ethyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinolin-2-one?
The InChIKey is OOIUDXRPYLPBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-2-17-15-18-9-3-5-11-20(18)27(23(17)28)16-22-25-19-10-4-6-12-21(19)26(22)14-8-7-13-24/h3-6,9-12,15H,2,7-8,13-14,16H2,1H3.
What are the key properties of 3-ethyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinolin-2-one?
3-ethyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinolin-2-one has a molecular weight of 377.46 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinolin-2-one is sourced from PubChem (CID 23517072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).