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

C21H22N2O5 — CID 141409878

IUPAC[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-c2nc(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)[nH]2)cc1
InChIInChI=1S/C21H22N2O5/c1-12-18(23-21(22-12)13-6-8-15(25-2)9-7-13)19(24)14-10-16(26-3)20(28-5)17(11-14)27-4/h6-11H,1-5H3,(H,22,23)
InChIKeyLNQDNXUTCWSGFC-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.65
Rot. Bonds7

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

[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 141409878) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID141409878
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-c2nc(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)[nH]2)cc1
InChIInChI=1S/C21H22N2O5/c1-12-18(23-21(22-12)13-6-8-15(25-2)9-7-13)19(24)14-10-16(26-3)20(28-5)17(11-14)27-4/h6-11H,1-5H3,(H,22,23)
InChIKeyLNQDNXUTCWSGFC-UHFFFAOYSA-N
XLogP3.65
TPSA82.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

[2-(3-amino-4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 141409884
ethyl 2-(4-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445125
methane;[2-(4-methylphenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 160633416
1-[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone
CID 82085429
2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid
CID 63362576
isoquinolin-1-yl-(3,4,5-trimethoxyphenyl)methanone
CID 102334723
lithium [6-methoxy-2-(4-methoxyphenyl)indol-1-id-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 142051549
[2-(3-hydroxy-4-methylphenyl)-6-methoxy-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 20755479
(4,5-diphenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 102234991
[2-(4-nitrophenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 69039473
[6-methoxy-3-(4-methoxyphenyl)-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 22592534
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 141409878) is [2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccc(-c2nc(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)[nH]2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is LNQDNXUTCWSGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-12-18(23-21(22-12)13-6-8-15(25-2)9-7-13)19(24)14-10-16(26-3)20(28-5)17(11-14)27-4/h6-11H,1-5H3,(H,22,23).
What are the key properties of [2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 382.42 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 141409878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).