[1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethenyl] 4-fluorobenzoate

C23H16F2N2O2 — CID 2892569

IUPAC[1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethenyl] 4-fluorobenzoate
SMILESCn1c(C=C(OC(=O)c2ccc(F)cc2)c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C23H16F2N2O2/c1-27-20-5-3-2-4-19(20)26-22(27)14-21(15-6-10-17(24)11-7-15)29-23(28)16-8-12-18(25)13-9-16/h2-14H,1H3
InChIKeySBKMTBNACNYRHF-UHFFFAOYSA-N
MW390.39 g/mol
LogP5.21
Rot. Bonds4

About [1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethenyl] 4-fluorobenzoate

[1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethenyl] 4-fluorobenzoate (PubChem CID 2892569) has the molecular formula C23H16F2N2O2 and a molecular weight of 390.39 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethenyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethenyl] 4-fluorobenzoate
PubChem CID2892569
Molecular FormulaC23H16F2N2O2
Molecular Weight390.39 g/mol
Exact Mass390.12
IUPAC Name[1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethenyl] 4-fluorobenzoate
SMILESCn1c(C=C(OC(=O)c2ccc(F)cc2)c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C23H16F2N2O2/c1-27-20-5-3-2-4-19(20)26-22(27)14-21(15-6-10-17(24)11-7-15)29-23(28)16-8-12-18(25)13-9-16/h2-14H,1H3
InChIKeySBKMTBNACNYRHF-UHFFFAOYSA-N
XLogP5.21
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.39
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethenyl] 4-fluorobenzoate?
The IUPAC name of [1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethenyl] 4-fluorobenzoate (CID 2892569) is [1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethenyl] 4-fluorobenzoate.
What is the SMILES notation for [1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethenyl] 4-fluorobenzoate?
The canonical SMILES for [1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethenyl] 4-fluorobenzoate is Cn1c(C=C(OC(=O)c2ccc(F)cc2)c2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of [1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethenyl] 4-fluorobenzoate?
The InChIKey is SBKMTBNACNYRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O2/c1-27-20-5-3-2-4-19(20)26-22(27)14-21(15-6-10-17(24)11-7-15)29-23(28)16-8-12-18(25)13-9-16/h2-14H,1H3.
What are the key properties of [1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethenyl] 4-fluorobenzoate?
[1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethenyl] 4-fluorobenzoate has a molecular weight of 390.39 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethenyl] 4-fluorobenzoate is sourced from PubChem (CID 2892569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).