2-(1H-benzimidazol-2-yl)-N-(4-fluorophenyl)benzo[f]chromen-3-imine

C26H16FN3O — CID 5195827

IUPAC2-(1H-benzimidazol-2-yl)-N-(4-fluorophenyl)benzo[f]chromen-3-imine
SMILESFc1ccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C26H16FN3O/c27-17-10-12-18(13-11-17)28-26-21(25-29-22-7-3-4-8-23(22)30-25)15-20-19-6-2-1-5-16(19)9-14-24(20)31-26/h1-15H,(H,29,30)/b28-26-
InChIKeySQSOWGTXPBRVIE-SGEDCAFJSA-N
MW405.43 g/mol
LogP6.50
Rot. Bonds2

About 2-(1H-benzimidazol-2-yl)-N-(4-fluorophenyl)benzo[f]chromen-3-imine

2-(1H-benzimidazol-2-yl)-N-(4-fluorophenyl)benzo[f]chromen-3-imine (PubChem CID 5195827) has the molecular formula C26H16FN3O and a molecular weight of 405.43 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-N-(4-fluorophenyl)benzo[f]chromen-3-imine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-N-(4-fluorophenyl)benzo[f]chromen-3-imine
PubChem CID5195827
Molecular FormulaC26H16FN3O
Molecular Weight405.43 g/mol
Exact Mass405.13
IUPAC Name2-(1H-benzimidazol-2-yl)-N-(4-fluorophenyl)benzo[f]chromen-3-imine
SMILESFc1ccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C26H16FN3O/c27-17-10-12-18(13-11-17)28-26-21(25-29-22-7-3-4-8-23(22)30-25)15-20-19-6-2-1-5-16(19)9-14-24(20)31-26/h1-15H,(H,29,30)/b28-26-
InChIKeySQSOWGTXPBRVIE-SGEDCAFJSA-N
XLogP6.50
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.43
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-N-(4-fluorophenyl)benzo[f]chromen-3-imine?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-N-(4-fluorophenyl)benzo[f]chromen-3-imine (CID 5195827) is 2-(1H-benzimidazol-2-yl)-N-(4-fluorophenyl)benzo[f]chromen-3-imine.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-N-(4-fluorophenyl)benzo[f]chromen-3-imine?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-N-(4-fluorophenyl)benzo[f]chromen-3-imine is Fc1ccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-N-(4-fluorophenyl)benzo[f]chromen-3-imine?
The InChIKey is SQSOWGTXPBRVIE-SGEDCAFJSA-N. The full InChI is InChI=1S/C26H16FN3O/c27-17-10-12-18(13-11-17)28-26-21(25-29-22-7-3-4-8-23(22)30-25)15-20-19-6-2-1-5-16(19)9-14-24(20)31-26/h1-15H,(H,29,30)/b28-26-.
What are the key properties of 2-(1H-benzimidazol-2-yl)-N-(4-fluorophenyl)benzo[f]chromen-3-imine?
2-(1H-benzimidazol-2-yl)-N-(4-fluorophenyl)benzo[f]chromen-3-imine has a molecular weight of 405.43 g/mol, XLogP of 6.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-N-(4-fluorophenyl)benzo[f]chromen-3-imine is sourced from PubChem (CID 5195827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).