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5-[(3,4-dichlorophenyl)methyl]-2-[[1-[(2,4-dimethoxyphenyl)methyl]-5-oxo-4H-imidazol-2-yl]methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one

C25H21Cl2F3N4O4 — CID 158418419

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[(3,4-dichlorophenyl)methyl]-2-[[1-[(2,4-dimethoxyphenyl)methyl]-5-oxo-4H-imidazol-2-yl]methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(CN2C(=O)CN=C2Cc2nc(C(F)(F)F)c(Cc3ccc(Cl)c(Cl)c3)c(=O)[nH]2)c(OC)c1
InChIInChI=1S/C25H21Cl2F3N4O4/c1-37-15-5-4-14(19(9-15)38-2)12-34-21(31-11-22(34)35)10-20-32-23(25(28,29)30)16(24(36)33-20)7-13-3-6-17(26)18(27)8-13/h3-6,8-9H,7,10-12H2,1-2H3,(H,32,33,36)
InChIKeyHAEPCSIUILYEGH-UHFFFAOYSA-N
MW569.37 g/mol
LogP4.69
Rot. Bonds8

About 5-[(3,4-dichlorophenyl)methyl]-2-[[1-[(2,4-dimethoxyphenyl)methyl]-5-oxo-4H-imidazol-2-yl]methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one

5-[(3,4-dichlorophenyl)methyl]-2-[[1-[(2,4-dimethoxyphenyl)methyl]-5-oxo-4H-imidazol-2-yl]methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 158418419) has the molecular formula C25H21Cl2F3N4O4 and a molecular weight of 569.37 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methyl]-2-[[1-[(2,4-dimethoxyphenyl)methyl]-5-oxo-4H-imidazol-2-yl]methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methyl]-2-[[1-[(2,4-dimethoxyphenyl)methyl]-5-oxo-4H-imidazol-2-yl]methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID158418419
Molecular FormulaC25H21Cl2F3N4O4
Molecular Weight569.37 g/mol
Exact Mass568.09
IUPAC Name5-[(3,4-dichlorophenyl)methyl]-2-[[1-[(2,4-dimethoxyphenyl)methyl]-5-oxo-4H-imidazol-2-yl]methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(CN2C(=O)CN=C2Cc2nc(C(F)(F)F)c(Cc3ccc(Cl)c(Cl)c3)c(=O)[nH]2)c(OC)c1
InChIInChI=1S/C25H21Cl2F3N4O4/c1-37-15-5-4-14(19(9-15)38-2)12-34-21(31-11-22(34)35)10-20-32-23(25(28,29)30)16(24(36)33-20)7-13-3-6-17(26)18(27)8-13/h3-6,8-9H,7,10-12H2,1-2H3,(H,32,33,36)
InChIKeyHAEPCSIUILYEGH-UHFFFAOYSA-N
XLogP4.69
TPSA96.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(3,4-dichlorophenyl)methyl]-2-[[1-[(2,4-dimethoxyphenyl)methyl]-5-oxo-4H-imidazol-2-yl]methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methyl]-2-[[1-[(2,4-dimethoxyphenyl)methyl]-5-oxo-4H-imidazol-2-yl]methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-[(3,4-dichlorophenyl)methyl]-2-[[1-[(2,4-dimethoxyphenyl)methyl]-5-oxo-4H-imidazol-2-yl]methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 158418419) is 5-[(3,4-dichlorophenyl)methyl]-2-[[1-[(2,4-dimethoxyphenyl)methyl]-5-oxo-4H-imidazol-2-yl]methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methyl]-2-[[1-[(2,4-dimethoxyphenyl)methyl]-5-oxo-4H-imidazol-2-yl]methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methyl]-2-[[1-[(2,4-dimethoxyphenyl)methyl]-5-oxo-4H-imidazol-2-yl]methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one is COc1ccc(CN2C(=O)CN=C2Cc2nc(C(F)(F)F)c(Cc3ccc(Cl)c(Cl)c3)c(=O)[nH]2)c(OC)c1.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methyl]-2-[[1-[(2,4-dimethoxyphenyl)methyl]-5-oxo-4H-imidazol-2-yl]methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is HAEPCSIUILYEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2F3N4O4/c1-37-15-5-4-14(19(9-15)38-2)12-34-21(31-11-22(34)35)10-20-32-23(25(28,29)30)16(24(36)33-20)7-13-3-6-17(26)18(27)8-13/h3-6,8-9H,7,10-12H2,1-2H3,(H,32,33,36).
What are the key properties of 5-[(3,4-dichlorophenyl)methyl]-2-[[1-[(2,4-dimethoxyphenyl)methyl]-5-oxo-4H-imidazol-2-yl]methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
5-[(3,4-dichlorophenyl)methyl]-2-[[1-[(2,4-dimethoxyphenyl)methyl]-5-oxo-4H-imidazol-2-yl]methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 569.37 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methyl]-2-[[1-[(2,4-dimethoxyphenyl)methyl]-5-oxo-4H-imidazol-2-yl]methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 158418419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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