(1-methyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone

C20H20N2O4 — CID 71717412

IUPAC(1-methyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc(-c3ccccc3)cn2C)cc(OC)c1OC
InChIInChI=1S/C20H20N2O4/c1-22-12-15(13-8-6-5-7-9-13)21-20(22)18(23)14-10-16(24-2)19(26-4)17(11-14)25-3/h5-12H,1-4H3
InChIKeyQSEVNXDLGXBJAN-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.34
Rot. Bonds6

About (1-methyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone

(1-methyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 71717412) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (1-methyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(1-methyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID71717412
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(1-methyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc(-c3ccccc3)cn2C)cc(OC)c1OC
InChIInChI=1S/C20H20N2O4/c1-22-12-15(13-8-6-5-7-9-13)21-20(22)18(23)14-10-16(24-2)19(26-4)17(11-14)25-3/h5-12H,1-4H3
InChIKeyQSEVNXDLGXBJAN-UHFFFAOYSA-N
XLogP3.34
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (1-methyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 71717412) is (1-methyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (1-methyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (1-methyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2nc(-c3ccccc3)cn2C)cc(OC)c1OC.
What is the InChIKey of (1-methyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is QSEVNXDLGXBJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-22-12-15(13-8-6-5-7-9-13)21-20(22)18(23)14-10-16(24-2)19(26-4)17(11-14)25-3/h5-12H,1-4H3.
What are the key properties of (1-methyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(1-methyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 352.39 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 71717412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).