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

C21H22N2O4 — CID 71719837

IUPAC(1-ethyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCn1cc(-c2ccccc2)nc1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H22N2O4/c1-5-23-13-16(14-9-7-6-8-10-14)22-21(23)19(24)15-11-17(25-2)20(27-4)18(12-15)26-3/h6-13H,5H2,1-4H3
InChIKeyAUPSPDMNTHSJGK-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.83
Rot. Bonds7

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

(1-ethyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 71719837) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (1-ethyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(1-ethyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID71719837
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(1-ethyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCn1cc(-c2ccccc2)nc1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H22N2O4/c1-5-23-13-16(14-9-7-6-8-10-14)22-21(23)19(24)15-11-17(25-2)20(27-4)18(12-15)26-3/h6-13H,5H2,1-4H3
InChIKeyAUPSPDMNTHSJGK-UHFFFAOYSA-N
XLogP3.83
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Sabizabulin
CID 53379371
(2-p-tolyl-1H-imidazol-5-yl)(3,4,5-trimethoxyphenyl)methanone
CID 49787837
[2-(1H-indol-4-yl)-1H-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone
CID 69038102
N-(3-{Imidazo[1,2-A]pyrimidin-2-YL}phenyl)-3,4,5-trimethoxybenzamide
CID 5304380
2-(1-methyl-1H-1,3-benzodiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethan-1-one
CID 4962804
1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole
CID 11688687
3,4,5-trimethoxy-N-(3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 983446
3,4,5-trimethoxy-N-(3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 1084380
(7-Methoxyimidazo[1,2-a]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 11522983
[2-(4-fluorophenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 49787762
[2-(4-Methoxyphenyl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone
CID 49787763
(2-(4-Chlorophenyl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl)methanone
CID 49787841

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (1-ethyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 71719837) is (1-ethyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (1-ethyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (1-ethyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone is CCn1cc(-c2ccccc2)nc1C(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (1-ethyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is AUPSPDMNTHSJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-5-23-13-16(14-9-7-6-8-10-14)22-21(23)19(24)15-11-17(25-2)20(27-4)18(12-15)26-3/h6-13H,5H2,1-4H3.
What are the key properties of (1-ethyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(1-ethyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 366.42 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 71719837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).