2-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol

C23H17FN4O — CID 135546083

IUPAC2-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
SMILESOc1ccccc1/C=N\c1nc(-c2ccccc2)cn1/N=C\c1ccc(F)cc1
InChIInChI=1S/C23H17FN4O/c24-20-12-10-17(11-13-20)14-26-28-16-21(18-6-2-1-3-7-18)27-23(28)25-15-19-8-4-5-9-22(19)29/h1-16,29H/b25-15-,26-14-
InChIKeyYVNSEWKJYZKNCR-QAKJUAQUSA-N
MW384.41 g/mol
LogP5.03
Rot. Bonds5

About 2-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol

2-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol (PubChem CID 135546083) has the molecular formula C23H17FN4O and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
PubChem CID135546083
Molecular FormulaC23H17FN4O
Molecular Weight384.41 g/mol
Exact Mass384.14
IUPAC Name2-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
SMILESOc1ccccc1/C=N\c1nc(-c2ccccc2)cn1/N=C\c1ccc(F)cc1
InChIInChI=1S/C23H17FN4O/c24-20-12-10-17(11-13-20)14-26-28-16-21(18-6-2-1-3-7-18)27-23(28)25-15-19-8-4-5-9-22(19)29/h1-16,29H/b25-15-,26-14-
InChIKeyYVNSEWKJYZKNCR-QAKJUAQUSA-N
XLogP5.03
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.41
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol?
The IUPAC name of 2-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol (CID 135546083) is 2-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol.
What is the SMILES notation for 2-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol?
The canonical SMILES for 2-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol is Oc1ccccc1/C=N\c1nc(-c2ccccc2)cn1/N=C\c1ccc(F)cc1.
What is the InChIKey of 2-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol?
The InChIKey is YVNSEWKJYZKNCR-QAKJUAQUSA-N. The full InChI is InChI=1S/C23H17FN4O/c24-20-12-10-17(11-13-20)14-26-28-16-21(18-6-2-1-3-7-18)27-23(28)25-15-19-8-4-5-9-22(19)29/h1-16,29H/b25-15-,26-14-.
What are the key properties of 2-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol?
2-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol has a molecular weight of 384.41 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[1-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol is sourced from PubChem (CID 135546083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).