[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone

C20H20N2O5 — CID 71625645

IUPAC[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-c2cnc(C(=O)c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1
InChIInChI=1S/C20H20N2O5/c1-24-14-7-5-12(6-8-14)15-11-21-20(22-15)18(23)13-9-16(25-2)19(27-4)17(10-13)26-3/h5-11H,1-4H3,(H,21,22)
InChIKeyLOLHYMNDXLILFE-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.34
Rot. Bonds7

About [5-(4-methoxyphenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone

[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 71625645) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID71625645
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-c2cnc(C(=O)c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1
InChIInChI=1S/C20H20N2O5/c1-24-14-7-5-12(6-8-14)15-11-21-20(22-15)18(23)13-9-16(25-2)19(27-4)17(10-13)26-3/h5-11H,1-4H3,(H,21,22)
InChIKeyLOLHYMNDXLILFE-UHFFFAOYSA-N
XLogP3.34
TPSA82.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [5-(4-methoxyphenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 71625645) is [5-(4-methoxyphenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [5-(4-methoxyphenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccc(-c2cnc(C(=O)c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is LOLHYMNDXLILFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-24-14-7-5-12(6-8-14)15-11-21-20(22-15)18(23)13-9-16(25-2)19(27-4)17(10-13)26-3/h5-11H,1-4H3,(H,21,22).
What are the key properties of [5-(4-methoxyphenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 368.39 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 71625645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).