5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine

C13H10ClF3N6 — CID 170633062

IUPAC5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESCn1cncc1-c1nc(C(F)(F)F)cn1Cc1ncc(Cl)cn1
InChIInChI=1S/C13H10ClF3N6/c1-22-7-18-4-9(22)12-21-10(13(15,16)17)5-23(12)6-11-19-2-8(14)3-20-11/h2-5,7H,6H2,1H3
InChIKeyUXHTWFGWOZTHHY-UHFFFAOYSA-N
MW342.71 g/mol
LogP2.79
Rot. Bonds3

About 5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine

5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (PubChem CID 170633062) has the molecular formula C13H10ClF3N6 and a molecular weight of 342.71 g/mol. Its IUPAC name is 5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
PubChem CID170633062
Molecular FormulaC13H10ClF3N6
Molecular Weight342.71 g/mol
Exact Mass342.06
IUPAC Name5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESCn1cncc1-c1nc(C(F)(F)F)cn1Cc1ncc(Cl)cn1
InChIInChI=1S/C13H10ClF3N6/c1-22-7-18-4-9(22)12-21-10(13(15,16)17)5-23(12)6-11-19-2-8(14)3-20-11/h2-5,7H,6H2,1H3
InChIKeyUXHTWFGWOZTHHY-UHFFFAOYSA-N
XLogP2.79
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.71
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The IUPAC name of 5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (CID 170633062) is 5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The canonical SMILES for 5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is Cn1cncc1-c1nc(C(F)(F)F)cn1Cc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The InChIKey is UXHTWFGWOZTHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N6/c1-22-7-18-4-9(22)12-21-10(13(15,16)17)5-23(12)6-11-19-2-8(14)3-20-11/h2-5,7H,6H2,1H3.
What are the key properties of 5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine has a molecular weight of 342.71 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is sourced from PubChem (CID 170633062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).