5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine

C14H8ClF4N5 — CID 177117758

IUPAC5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESFc1ccc(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)cn1
InChIInChI=1S/C14H8ClF4N5/c15-9-4-21-12(22-5-9)7-24-6-10(14(17,18)19)23-13(24)8-1-2-11(16)20-3-8/h1-6H,7H2
InChIKeyBJNSIKPLRKJQLF-UHFFFAOYSA-N
MW357.70 g/mol
LogP3.59
Rot. Bonds3

About 5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine

5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (PubChem CID 177117758) has the molecular formula C14H8ClF4N5 and a molecular weight of 357.70 g/mol. Its IUPAC name is 5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
PubChem CID177117758
Molecular FormulaC14H8ClF4N5
Molecular Weight357.70 g/mol
Exact Mass357.04
IUPAC Name5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESFc1ccc(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)cn1
InChIInChI=1S/C14H8ClF4N5/c15-9-4-21-12(22-5-9)7-24-6-10(14(17,18)19)23-13(24)8-1-2-11(16)20-3-8/h1-6H,7H2
InChIKeyBJNSIKPLRKJQLF-UHFFFAOYSA-N
XLogP3.59
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.70
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[[2-(6-chloro-5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 177117738
5-chloro-2-[[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 176842774
5-chloro-2-[[2-(4-fluoropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 176842788
5-chloro-2-[[2-(5-methylsulfonylthiophen-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 176842784
2-[[4-bromo-2-(4-chlorophenyl)imidazol-1-yl]methyl]-5-chloropyrimidine
CID 177117735
1-methyl-3-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-1,2,4-triazole
CID 171500959
2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine
CID 71319129
2-methyl-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine
CID 176669250
5-chloro-2-[[4-(difluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-3-fluoropyridine
CID 171842708
2-chloro-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine
CID 172585614
2-chloro-5-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine
CID 172596791
2-(4-bromophenyl)-1-propyl-4-(trifluoromethyl)imidazole
CID 162440281

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The IUPAC name of 5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (CID 177117758) is 5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The canonical SMILES for 5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is Fc1ccc(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)cn1.
What is the InChIKey of 5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The InChIKey is BJNSIKPLRKJQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF4N5/c15-9-4-21-12(22-5-9)7-24-6-10(14(17,18)19)23-13(24)8-1-2-11(16)20-3-8/h1-6H,7H2.
What are the key properties of 5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine has a molecular weight of 357.70 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is sourced from PubChem (CID 177117758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).