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

C20H20N2O5 — CID 71625876

IUPAC(4-methoxyphenyl)-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone
SMILESCOc1ccc(C(=O)c2ncc(-c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1
InChIInChI=1S/C20H20N2O5/c1-24-14-7-5-12(6-8-14)18(23)20-21-11-15(22-20)13-9-16(25-2)19(27-4)17(10-13)26-3/h5-11H,1-4H3,(H,21,22)
InChIKeyALFGOGXVFFGDHQ-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.34
Rot. Bonds7

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

(4-methoxyphenyl)-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone (PubChem CID 71625876) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is (4-methoxyphenyl)-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone
PubChem CID71625876
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name(4-methoxyphenyl)-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone
SMILESCOc1ccc(C(=O)c2ncc(-c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1
InChIInChI=1S/C20H20N2O5/c1-24-14-7-5-12(6-8-14)18(23)20-21-11-15(22-20)13-9-16(25-2)19(27-4)17(10-13)26-3/h5-11H,1-4H3,(H,21,22)
InChIKeyALFGOGXVFFGDHQ-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 (4-methoxyphenyl)-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone (CID 71625876) is (4-methoxyphenyl)-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone is COc1ccc(C(=O)c2ncc(-c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone?
The InChIKey is ALFGOGXVFFGDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-24-14-7-5-12(6-8-14)18(23)20-21-11-15(22-20)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 (4-methoxyphenyl)-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone?
(4-methoxyphenyl)-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]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 (4-methoxyphenyl)-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone is sourced from PubChem (CID 71625876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).