(5-methyl-4-phenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone

C20H20N2O4 — CID 71625879

IUPAC(5-methyl-4-phenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc(-c3ccccc3)c(C)[nH]2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O4/c1-12-17(13-8-6-5-7-9-13)22-20(21-12)18(23)14-10-15(24-2)19(26-4)16(11-14)25-3/h5-11H,1-4H3,(H,21,22)
InChIKeySFSUSNAHCRIQMV-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.64
Rot. Bonds6

About (5-methyl-4-phenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone

(5-methyl-4-phenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 71625879) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (5-methyl-4-phenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-methyl-4-phenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID71625879
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(5-methyl-4-phenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc(-c3ccccc3)c(C)[nH]2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O4/c1-12-17(13-8-6-5-7-9-13)22-20(21-12)18(23)14-10-15(24-2)19(26-4)16(11-14)25-3/h5-11H,1-4H3,(H,21,22)
InChIKeySFSUSNAHCRIQMV-UHFFFAOYSA-N
XLogP3.64
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-4-phenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (5-methyl-4-phenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 71625879) is (5-methyl-4-phenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (5-methyl-4-phenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (5-methyl-4-phenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2nc(-c3ccccc3)c(C)[nH]2)cc(OC)c1OC.
What is the InChIKey of (5-methyl-4-phenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is SFSUSNAHCRIQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-12-17(13-8-6-5-7-9-13)22-20(21-12)18(23)14-10-15(24-2)19(26-4)16(11-14)25-3/h5-11H,1-4H3,(H,21,22).
What are the key properties of (5-methyl-4-phenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(5-methyl-4-phenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 352.39 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4-phenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 71625879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).