methyl 2-[2-[2-(4-methoxyphenyl)ethenyl]-4-(4-phenylphenyl)-1H-imidazol-5-yl]acetate

C27H24N2O3 — CID 91199446

IUPACmethyl 2-[2-[2-(4-methoxyphenyl)ethenyl]-4-(4-phenylphenyl)-1H-imidazol-5-yl]acetate
SMILESCOC(=O)Cc1[nH]c(C=Cc2ccc(OC)cc2)nc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H24N2O3/c1-31-23-15-8-19(9-16-23)10-17-25-28-24(18-26(30)32-2)27(29-25)22-13-11-21(12-14-22)20-6-4-3-5-7-20/h3-17H,18H2,1-2H3,(H,28,29)
InChIKeySJAAWGDHZJFQKJ-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.64
Rot. Bonds7

About methyl 2-[2-[2-(4-methoxyphenyl)ethenyl]-4-(4-phenylphenyl)-1H-imidazol-5-yl]acetate

methyl 2-[2-[2-(4-methoxyphenyl)ethenyl]-4-(4-phenylphenyl)-1H-imidazol-5-yl]acetate (PubChem CID 91199446) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is methyl 2-[2-[2-(4-methoxyphenyl)ethenyl]-4-(4-phenylphenyl)-1H-imidazol-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-(4-methoxyphenyl)ethenyl]-4-(4-phenylphenyl)-1H-imidazol-5-yl]acetate
PubChem CID91199446
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Namemethyl 2-[2-[2-(4-methoxyphenyl)ethenyl]-4-(4-phenylphenyl)-1H-imidazol-5-yl]acetate
SMILESCOC(=O)Cc1[nH]c(C=Cc2ccc(OC)cc2)nc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H24N2O3/c1-31-23-15-8-19(9-16-23)10-17-25-28-24(18-26(30)32-2)27(29-25)22-13-11-21(12-14-22)20-6-4-3-5-7-20/h3-17H,18H2,1-2H3,(H,28,29)
InChIKeySJAAWGDHZJFQKJ-UHFFFAOYSA-N
XLogP5.64
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[2-[2-(4-methoxyphenyl)ethenyl]-4-(4-phenylphenyl)-1H-imidazol-5-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 6450669
2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-bis(4-nitrophenyl)-1H-imidazole
CID 102282217
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate
CID 116880251
(4-phenylphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7872590
3-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 1292001
(E)-3-(4-methoxyphenyl)prop-2-enoyl chloride;toluene
CID 118117364
(E)-3-(4-methoxyphenyl)-N-[[(4-phenylbenzoyl)amino]carbamothioyl]prop-2-enamide
CID 6294288
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
methyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate
CID 11099694
methyl 2-(2,4-diphenyl-1,3-oxazol-5-yl)acetate
CID 10517811
4,5-bis(4-methoxyphenyl)-N-phenyl-1H-imidazole-2-carboxamide
CID 14100144

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(4-methoxyphenyl)ethenyl]-4-(4-phenylphenyl)-1H-imidazol-5-yl]acetate?
The IUPAC name of methyl 2-[2-[2-(4-methoxyphenyl)ethenyl]-4-(4-phenylphenyl)-1H-imidazol-5-yl]acetate (CID 91199446) is methyl 2-[2-[2-(4-methoxyphenyl)ethenyl]-4-(4-phenylphenyl)-1H-imidazol-5-yl]acetate.
What is the SMILES notation for methyl 2-[2-[2-(4-methoxyphenyl)ethenyl]-4-(4-phenylphenyl)-1H-imidazol-5-yl]acetate?
The canonical SMILES for methyl 2-[2-[2-(4-methoxyphenyl)ethenyl]-4-(4-phenylphenyl)-1H-imidazol-5-yl]acetate is COC(=O)Cc1[nH]c(C=Cc2ccc(OC)cc2)nc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl 2-[2-[2-(4-methoxyphenyl)ethenyl]-4-(4-phenylphenyl)-1H-imidazol-5-yl]acetate?
The InChIKey is SJAAWGDHZJFQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-31-23-15-8-19(9-16-23)10-17-25-28-24(18-26(30)32-2)27(29-25)22-13-11-21(12-14-22)20-6-4-3-5-7-20/h3-17H,18H2,1-2H3,(H,28,29).
What are the key properties of methyl 2-[2-[2-(4-methoxyphenyl)ethenyl]-4-(4-phenylphenyl)-1H-imidazol-5-yl]acetate?
methyl 2-[2-[2-(4-methoxyphenyl)ethenyl]-4-(4-phenylphenyl)-1H-imidazol-5-yl]acetate has a molecular weight of 424.50 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(4-methoxyphenyl)ethenyl]-4-(4-phenylphenyl)-1H-imidazol-5-yl]acetate is sourced from PubChem (CID 91199446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).