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

C13H9Cl2F3N6 — CID 176842781

IUPAC5-chloro-2-[[2-(2-chloro-3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESCn1c(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)cnc1Cl
InChIInChI=1S/C13H9Cl2F3N6/c1-23-8(4-21-12(23)15)11-22-9(13(16,17)18)5-24(11)6-10-19-2-7(14)3-20-10/h2-5H,6H2,1H3
InChIKeyGHGHSKZYWKRIII-UHFFFAOYSA-N
MW377.16 g/mol
LogP3.45
Rot. Bonds3

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

5-chloro-2-[[2-(2-chloro-3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (PubChem CID 176842781) has the molecular formula C13H9Cl2F3N6 and a molecular weight of 377.16 g/mol. Its IUPAC name is 5-chloro-2-[[2-(2-chloro-3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[2-(2-chloro-3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
PubChem CID176842781
Molecular FormulaC13H9Cl2F3N6
Molecular Weight377.16 g/mol
Exact Mass376.02
IUPAC Name5-chloro-2-[[2-(2-chloro-3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESCn1c(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)cnc1Cl
InChIInChI=1S/C13H9Cl2F3N6/c1-23-8(4-21-12(23)15)11-22-9(13(16,17)18)5-24(11)6-10-19-2-7(14)3-20-10/h2-5H,6H2,1H3
InChIKeyGHGHSKZYWKRIII-UHFFFAOYSA-N
XLogP3.45
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.16
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Chloro-5-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine
CID 71319131
6-Chloro-3-(trifluoromethyl)imidazo[1,5-a]pyrazine
CID 134543537
5-(4-Chloro-1-ethylimidazol-2-yl)-4-(trifluoromethyl)pyrimidine
CID 135187224
5-Fluoro-2-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine
CID 141123766
8-Chloro-9-ethyl-2-(trifluoromethyl)purine
CID 141211515
8-(Difluoromethyl)-9-ethylpurine
CID 151985967
1-(2-Chloro-5-fluoropyrimidin-4-yl)-4-methylimidazole-2-carbonitrile
CID 162356475
2-[[2-Bromo-4-(difluoromethyl)imidazol-1-yl]methyl]-5-chloropyrimidine
CID 168228963
5-Chloro-2-[[4-(difluoromethyl)-2-(2-methylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrimidine
CID 168228964
5-Chloro-2-[[2-iodo-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 168228977
5-Chloro-2-[[4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 168228991
2-Chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine
CID 168800101

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(2-chloro-3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The IUPAC name of 5-chloro-2-[[2-(2-chloro-3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (CID 176842781) is 5-chloro-2-[[2-(2-chloro-3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[[2-(2-chloro-3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The canonical SMILES for 5-chloro-2-[[2-(2-chloro-3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is Cn1c(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)cnc1Cl.
What is the InChIKey of 5-chloro-2-[[2-(2-chloro-3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The InChIKey is GHGHSKZYWKRIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F3N6/c1-23-8(4-21-12(23)15)11-22-9(13(16,17)18)5-24(11)6-10-19-2-7(14)3-20-10/h2-5H,6H2,1H3.
What are the key properties of 5-chloro-2-[[2-(2-chloro-3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
5-chloro-2-[[2-(2-chloro-3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine has a molecular weight of 377.16 g/mol, XLogP of 3.45, 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-(2-chloro-3-methylimidazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is sourced from PubChem (CID 176842781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).