(4-phenyl-1-propan-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone

C22H24N2O4 — CID 71719225

IUPAC(4-phenyl-1-propan-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc(-c3ccccc3)cn2C(C)C)cc(OC)c1OC
InChIInChI=1S/C22H24N2O4/c1-14(2)24-13-17(15-9-7-6-8-10-15)23-22(24)20(25)16-11-18(26-3)21(28-5)19(12-16)27-4/h6-14H,1-5H3
InChIKeyQMCRGJABQIDQGA-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.39
Rot. Bonds7

About (4-phenyl-1-propan-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone

(4-phenyl-1-propan-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 71719225) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is (4-phenyl-1-propan-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-phenyl-1-propan-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID71719225
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name(4-phenyl-1-propan-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc(-c3ccccc3)cn2C(C)C)cc(OC)c1OC
InChIInChI=1S/C22H24N2O4/c1-14(2)24-13-17(15-9-7-6-8-10-15)23-22(24)20(25)16-11-18(26-3)21(28-5)19(12-16)27-4/h6-14H,1-5H3
InChIKeyQMCRGJABQIDQGA-UHFFFAOYSA-N
XLogP4.39
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 53379371
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CID 69038102
N-(3-{Imidazo[1,2-A]pyrimidin-2-YL}phenyl)-3,4,5-trimethoxybenzamide
CID 5304380
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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 (4-phenyl-1-propan-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (4-phenyl-1-propan-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 71719225) is (4-phenyl-1-propan-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (4-phenyl-1-propan-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (4-phenyl-1-propan-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2nc(-c3ccccc3)cn2C(C)C)cc(OC)c1OC.
What is the InChIKey of (4-phenyl-1-propan-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is QMCRGJABQIDQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-14(2)24-13-17(15-9-7-6-8-10-15)23-22(24)20(25)16-11-18(26-3)21(28-5)19(12-16)27-4/h6-14H,1-5H3.
What are the key properties of (4-phenyl-1-propan-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(4-phenyl-1-propan-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 380.44 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-1-propan-2-ylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 71719225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).