5-chloro-1-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazole

C13H12ClF3N2 — CID 117259456

IUPAC5-chloro-1-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazole
SMILESCC(C)n1c(Cl)cnc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C13H12ClF3N2/c1-8(2)19-11(14)7-18-12(19)9-5-3-4-6-10(9)13(15,16)17/h3-8H,1-2H3
InChIKeyLLOXGHDVAIKMCI-UHFFFAOYSA-N
MW288.70 g/mol
LogP4.80
Rot. Bonds2

About 5-chloro-1-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazole

5-chloro-1-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazole (PubChem CID 117259456) has the molecular formula C13H12ClF3N2 and a molecular weight of 288.70 g/mol. Its IUPAC name is 5-chloro-1-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name5-chloro-1-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazole
PubChem CID117259456
Molecular FormulaC13H12ClF3N2
Molecular Weight288.70 g/mol
Exact Mass288.06
IUPAC Name5-chloro-1-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazole
SMILESCC(C)n1c(Cl)cnc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C13H12ClF3N2/c1-8(2)19-11(14)7-18-12(19)9-5-3-4-6-10(9)13(15,16)17/h3-8H,1-2H3
InChIKeyLLOXGHDVAIKMCI-UHFFFAOYSA-N
XLogP4.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.70
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole
CID 71227633
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
4,6-dichloro-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine
CID 63612354
6-methoxy-3-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
CID 117138118
1-propan-2-yl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-one
CID 21448520
4-chloro-2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]pyridine
CID 123435575
2-chloro-3-fluoro-4-[2-(trifluoromethyl)phenyl]pyridine
CID 118997710
5-chloro-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole
CID 117258904
1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115091866
3,5-dichloro-2-[2-(trifluoromethyl)phenyl]pyridine
CID 134623597
2,3-dichloro-5-[2-(trifluoromethyl)phenyl]pyridine
CID 118815216
2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine
CID 145031967

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 5-chloro-1-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazole (CID 117259456) is 5-chloro-1-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 5-chloro-1-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 5-chloro-1-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazole is CC(C)n1c(Cl)cnc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 5-chloro-1-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazole?
The InChIKey is LLOXGHDVAIKMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2/c1-8(2)19-11(14)7-18-12(19)9-5-3-4-6-10(9)13(15,16)17/h3-8H,1-2H3.
What are the key properties of 5-chloro-1-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazole?
5-chloro-1-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazole has a molecular weight of 288.70 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 117259456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).