[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone

C23H20N4O4 — CID 67430473

IUPAC[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ncc(-c2cccc(-n3cnc(C(=O)c4ccccc4OC)c3)c2)c(OC)n1
InChIInChI=1S/C23H20N4O4/c1-29-20-10-5-4-9-17(20)21(28)19-13-27(14-25-19)16-8-6-7-15(11-16)18-12-24-23(31-3)26-22(18)30-2/h4-14H,1-3H3
InChIKeyIDWSRNNQOHVLBN-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.59
Rot. Bonds7

About [1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone

[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone (PubChem CID 67430473) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is [1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone
PubChem CID67430473
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ncc(-c2cccc(-n3cnc(C(=O)c4ccccc4OC)c3)c2)c(OC)n1
InChIInChI=1S/C23H20N4O4/c1-29-20-10-5-4-9-17(20)21(28)19-13-27(14-25-19)16-8-6-7-15(11-16)18-12-24-23(31-3)26-22(18)30-2/h4-14H,1-3H3
InChIKeyIDWSRNNQOHVLBN-UHFFFAOYSA-N
XLogP3.59
TPSA88.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(3-methoxyphenyl)methanone
CID 67428511
[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(5-methyl-1,3-thiazol-2-yl)methanone
CID 67429660
(2-methoxyphenyl)-[1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazol-4-yl]methanone
CID 67429654
1-bromo-3-methoxybenzene;[1-[3-(3-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone
CID 67430373
furan-2-yl-[1-[3-(2-methoxyphenyl)phenyl]imidazol-4-yl]methanone
CID 67430389
2-[3-[4-(3-methoxybenzoyl)imidazol-1-yl]phenyl]benzonitrile
CID 67430776
2,4-dimethoxy-5-(3-methoxyphenyl)pyrimidine
CID 76538776
[1-[3-(2-fluoro-6-methoxyphenyl)phenyl]imidazol-4-yl]-(1,3-thiazol-2-yl)methanone
CID 16679206
2-bromopyrimidine;[1-[3-(2-fluoro-6-methoxyphenyl)phenyl]imidazol-4-yl]-(4-fluorophenyl)methanone
CID 87396393
(2-methoxyphenyl)-(2-phenyltriazol-4-yl)methanone
CID 105079964
[1-(ethoxymethyl)imidazol-2-yl]-[1-[3-(5-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]methanone
CID 67430316
1-bromo-4-fluorobenzene;[1-[3-(3-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]-(3-fluorophenyl)methanone
CID 67429012

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone (CID 67430473) is [1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone is COc1ncc(-c2cccc(-n3cnc(C(=O)c4ccccc4OC)c3)c2)c(OC)n1.
What is the InChIKey of [1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone?
The InChIKey is IDWSRNNQOHVLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-29-20-10-5-4-9-17(20)21(28)19-13-27(14-25-19)16-8-6-7-15(11-16)18-12-24-23(31-3)26-22(18)30-2/h4-14H,1-3H3.
What are the key properties of [1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone?
[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone has a molecular weight of 416.44 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 67430473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).