(5Z)-3-(3-fluorophenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one

C24H19FN2O3 — CID 45105693

IUPAC(5Z)-3-(3-fluorophenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one
SMILESCOc1cccc(C2=N/C(=C\c3ccccc3OC)C(=O)N2c2cccc(F)c2)c1
InChIInChI=1S/C24H19FN2O3/c1-29-20-11-5-8-17(13-20)23-26-21(14-16-7-3-4-12-22(16)30-2)24(28)27(23)19-10-6-9-18(25)15-19/h3-15H,1-2H3/b21-14-
InChIKeyABSQGMPNRIXRMN-STZFKDTASA-N
MW402.43 g/mol
LogP4.68
Rot. Bonds5

About (5Z)-3-(3-fluorophenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one

(5Z)-3-(3-fluorophenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one (PubChem CID 45105693) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is (5Z)-3-(3-fluorophenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one.

Molecular Properties

Compound Name(5Z)-3-(3-fluorophenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one
PubChem CID45105693
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name(5Z)-3-(3-fluorophenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one
SMILESCOc1cccc(C2=N/C(=C\c3ccccc3OC)C(=O)N2c2cccc(F)c2)c1
InChIInChI=1S/C24H19FN2O3/c1-29-20-11-5-8-17(13-20)23-26-21(14-16-7-3-4-12-22(16)30-2)24(28)27(23)19-10-6-9-18(25)15-19/h3-15H,1-2H3/b21-14-
InChIKeyABSQGMPNRIXRMN-STZFKDTASA-N
XLogP4.68
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(3-fluorophenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one?
The IUPAC name of (5Z)-3-(3-fluorophenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one (CID 45105693) is (5Z)-3-(3-fluorophenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one.
What is the SMILES notation for (5Z)-3-(3-fluorophenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one?
The canonical SMILES for (5Z)-3-(3-fluorophenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one is COc1cccc(C2=N/C(=C\c3ccccc3OC)C(=O)N2c2cccc(F)c2)c1.
What is the InChIKey of (5Z)-3-(3-fluorophenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one?
The InChIKey is ABSQGMPNRIXRMN-STZFKDTASA-N. The full InChI is InChI=1S/C24H19FN2O3/c1-29-20-11-5-8-17(13-20)23-26-21(14-16-7-3-4-12-22(16)30-2)24(28)27(23)19-10-6-9-18(25)15-19/h3-15H,1-2H3/b21-14-.
What are the key properties of (5Z)-3-(3-fluorophenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one?
(5Z)-3-(3-fluorophenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one has a molecular weight of 402.43 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(3-fluorophenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one is sourced from PubChem (CID 45105693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).