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

C26H24N2O4 — CID 71718001

IUPAC(1-benzyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc(-c3ccccc3)cn2Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C26H24N2O4/c1-30-22-14-20(15-23(31-2)25(22)32-3)24(29)26-27-21(19-12-8-5-9-13-19)17-28(26)16-18-10-6-4-7-11-18/h4-15,17H,16H2,1-3H3
InChIKeyUCLFOJXOEHSHIB-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.86
Rot. Bonds8

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

(1-benzyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 71718001) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is (1-benzyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(1-benzyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID71718001
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name(1-benzyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc(-c3ccccc3)cn2Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C26H24N2O4/c1-30-22-14-20(15-23(31-2)25(22)32-3)24(29)26-27-21(19-12-8-5-9-13-19)17-28(26)16-18-10-6-4-7-11-18/h4-15,17H,16H2,1-3H3
InChIKeyUCLFOJXOEHSHIB-UHFFFAOYSA-N
XLogP4.86
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.86
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
[2-(1H-indol-3-yl)-1H-imidazol-4-yl](8-methoxy-1,4-benzodioxin-6-yl)methanone
CID 134814244
2-(1-methyl-1H-1,3-benzodiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethan-1-one
CID 4962804
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-benzyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (1-benzyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 71718001) is (1-benzyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (1-benzyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (1-benzyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2nc(-c3ccccc3)cn2Cc2ccccc2)cc(OC)c1OC.
What is the InChIKey of (1-benzyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is UCLFOJXOEHSHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-30-22-14-20(15-23(31-2)25(22)32-3)24(29)26-27-21(19-12-8-5-9-13-19)17-28(26)16-18-10-6-4-7-11-18/h4-15,17H,16H2,1-3H3.
What are the key properties of (1-benzyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(1-benzyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 428.49 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 71718001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).