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

C25H22N2O4 — CID 45105711

IUPAC(5Z)-2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one
SMILESCOc1ccc(N2C(=O)/C(=C/c3ccccc3OC)N=C2c2cccc(OC)c2)cc1
InChIInChI=1S/C25H22N2O4/c1-29-20-13-11-19(12-14-20)27-24(18-8-6-9-21(15-18)30-2)26-22(25(27)28)16-17-7-4-5-10-23(17)31-3/h4-16H,1-3H3/b22-16-
InChIKeyWMNOSKAZRNDUSD-JWGURIENSA-N
MW414.46 g/mol
LogP4.55
Rot. Bonds6

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

(5Z)-2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one (PubChem CID 45105711) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is (5Z)-2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one.

Molecular Properties

Compound Name(5Z)-2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one
PubChem CID45105711
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name(5Z)-2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one
SMILESCOc1ccc(N2C(=O)/C(=C/c3ccccc3OC)N=C2c2cccc(OC)c2)cc1
InChIInChI=1S/C25H22N2O4/c1-29-20-13-11-19(12-14-20)27-24(18-8-6-9-21(15-18)30-2)26-22(25(27)28)16-17-7-4-5-10-23(17)31-3/h4-16H,1-3H3/b22-16-
InChIKeyWMNOSKAZRNDUSD-JWGURIENSA-N
XLogP4.55
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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)-2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one?
The IUPAC name of (5Z)-2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one (CID 45105711) is (5Z)-2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one.
What is the SMILES notation for (5Z)-2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one?
The canonical SMILES for (5Z)-2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one is COc1ccc(N2C(=O)/C(=C/c3ccccc3OC)N=C2c2cccc(OC)c2)cc1.
What is the InChIKey of (5Z)-2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one?
The InChIKey is WMNOSKAZRNDUSD-JWGURIENSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-29-20-13-11-19(12-14-20)27-24(18-8-6-9-21(15-18)30-2)26-22(25(27)28)16-17-7-4-5-10-23(17)31-3/h4-16H,1-3H3/b22-16-.
What are the key properties of (5Z)-2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one?
(5Z)-2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one has a molecular weight of 414.46 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one is sourced from PubChem (CID 45105711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).