4-methyl-1-[3-nitroso-5-(trifluoromethyl)phenyl]imidazole

C11H8F3N3O — CID 88910151

IUPAC4-methyl-1-[3-nitroso-5-(trifluoromethyl)phenyl]imidazole
SMILESCc1cn(-c2cc(N=O)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C11H8F3N3O/c1-7-5-17(6-15-7)10-3-8(11(12,13)14)2-9(4-10)16-18/h2-6H,1H3
InChIKeyJKSYKACEIQJNLP-UHFFFAOYSA-N
MW255.20 g/mol
LogP3.60
Rot. Bonds2

About 4-methyl-1-[3-nitroso-5-(trifluoromethyl)phenyl]imidazole

4-methyl-1-[3-nitroso-5-(trifluoromethyl)phenyl]imidazole (PubChem CID 88910151) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 4-methyl-1-[3-nitroso-5-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name4-methyl-1-[3-nitroso-5-(trifluoromethyl)phenyl]imidazole
PubChem CID88910151
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name4-methyl-1-[3-nitroso-5-(trifluoromethyl)phenyl]imidazole
SMILESCc1cn(-c2cc(N=O)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C11H8F3N3O/c1-7-5-17(6-15-7)10-3-8(11(12,13)14)2-9(4-10)16-18/h2-6H,1H3
InChIKeyJKSYKACEIQJNLP-UHFFFAOYSA-N
XLogP3.60
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-nitroso-5-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 4-methyl-1-[3-nitroso-5-(trifluoromethyl)phenyl]imidazole (CID 88910151) is 4-methyl-1-[3-nitroso-5-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 4-methyl-1-[3-nitroso-5-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 4-methyl-1-[3-nitroso-5-(trifluoromethyl)phenyl]imidazole is Cc1cn(-c2cc(N=O)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of 4-methyl-1-[3-nitroso-5-(trifluoromethyl)phenyl]imidazole?
The InChIKey is JKSYKACEIQJNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c1-7-5-17(6-15-7)10-3-8(11(12,13)14)2-9(4-10)16-18/h2-6H,1H3.
What are the key properties of 4-methyl-1-[3-nitroso-5-(trifluoromethyl)phenyl]imidazole?
4-methyl-1-[3-nitroso-5-(trifluoromethyl)phenyl]imidazole has a molecular weight of 255.20 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-nitroso-5-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 88910151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).