4-(3,4-dichlorophenyl)-2-(4-pyridin-3-ylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine

C19H10Cl2F3N5 — CID 141185318

IUPAC4-(3,4-dichlorophenyl)-2-(4-pyridin-3-ylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)c(Cl)c2)nc(-n2cnc(-c3cccnc3)c2)n1
InChIInChI=1S/C19H10Cl2F3N5/c20-13-4-3-11(6-14(13)21)15-7-17(19(22,23)24)28-18(27-15)29-9-16(26-10-29)12-2-1-5-25-8-12/h1-10H
InChIKeyHJOHWVOSWVTEHJ-UHFFFAOYSA-N
MW436.22 g/mol
LogP5.72
Rot. Bonds3

About 4-(3,4-dichlorophenyl)-2-(4-pyridin-3-ylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine

4-(3,4-dichlorophenyl)-2-(4-pyridin-3-ylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine (PubChem CID 141185318) has the molecular formula C19H10Cl2F3N5 and a molecular weight of 436.22 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-2-(4-pyridin-3-ylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-2-(4-pyridin-3-ylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine
PubChem CID141185318
Molecular FormulaC19H10Cl2F3N5
Molecular Weight436.22 g/mol
Exact Mass435.03
IUPAC Name4-(3,4-dichlorophenyl)-2-(4-pyridin-3-ylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)c(Cl)c2)nc(-n2cnc(-c3cccnc3)c2)n1
InChIInChI=1S/C19H10Cl2F3N5/c20-13-4-3-11(6-14(13)21)15-7-17(19(22,23)24)28-18(27-15)29-9-16(26-10-29)12-2-1-5-25-8-12/h1-10H
InChIKeyHJOHWVOSWVTEHJ-UHFFFAOYSA-N
XLogP5.72
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.22
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-2-(4-pyridin-3-ylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(3,4-dichlorophenyl)-2-(4-pyridin-3-ylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine (CID 141185318) is 4-(3,4-dichlorophenyl)-2-(4-pyridin-3-ylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-2-(4-pyridin-3-ylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-2-(4-pyridin-3-ylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(-c2ccc(Cl)c(Cl)c2)nc(-n2cnc(-c3cccnc3)c2)n1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-2-(4-pyridin-3-ylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is HJOHWVOSWVTEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2F3N5/c20-13-4-3-11(6-14(13)21)15-7-17(19(22,23)24)28-18(27-15)29-9-16(26-10-29)12-2-1-5-25-8-12/h1-10H.
What are the key properties of 4-(3,4-dichlorophenyl)-2-(4-pyridin-3-ylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine?
4-(3,4-dichlorophenyl)-2-(4-pyridin-3-ylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 436.22 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-2-(4-pyridin-3-ylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 141185318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).