5-(2,6-difluoro-3-methylphenyl)-1-methyl-4-phenylimidazole

C17H14F2N2 — CID 50967402

IUPAC5-(2,6-difluoro-3-methylphenyl)-1-methyl-4-phenylimidazole
SMILESCc1ccc(F)c(-c2c(-c3ccccc3)ncn2C)c1F
InChIInChI=1S/C17H14F2N2/c1-11-8-9-13(18)14(15(11)19)17-16(20-10-21(17)2)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyUBRNUHGZUDAQFG-UHFFFAOYSA-N
MW284.31 g/mol
LogP4.34
Rot. Bonds2

About 5-(2,6-difluoro-3-methylphenyl)-1-methyl-4-phenylimidazole

5-(2,6-difluoro-3-methylphenyl)-1-methyl-4-phenylimidazole (PubChem CID 50967402) has the molecular formula C17H14F2N2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 5-(2,6-difluoro-3-methylphenyl)-1-methyl-4-phenylimidazole.

Molecular Properties

Compound Name5-(2,6-difluoro-3-methylphenyl)-1-methyl-4-phenylimidazole
PubChem CID50967402
Molecular FormulaC17H14F2N2
Molecular Weight284.31 g/mol
Exact Mass284.11
IUPAC Name5-(2,6-difluoro-3-methylphenyl)-1-methyl-4-phenylimidazole
SMILESCc1ccc(F)c(-c2c(-c3ccccc3)ncn2C)c1F
InChIInChI=1S/C17H14F2N2/c1-11-8-9-13(18)14(15(11)19)17-16(20-10-21(17)2)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyUBRNUHGZUDAQFG-UHFFFAOYSA-N
XLogP4.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-[5-(2,6-difluoro-3-methylphenyl)-4-phenylimidazol-1-yl]butan-2-ol
CID 95138308
1-methyl-4-phenyl-5-(trifluoromethyl)imidazole
CID 14024804
1-methyl-5-methylsulfanyl-4-phenylimidazole
CID 130256791
4,5-diphenyl-1-propylimidazole
CID 14950648
1-methyl-5-(2,3,4-trimethylphenyl)-4-(3,4,5-trimethylphenyl)imidazole
CID 71028638
5-fluoro-1-methyl-3,4-diphenylpyrazole
CID 174249239
2-[5-(2,3-difluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]-2-ethylpropane-1,3-diol
CID 50968491
3-chloro-1-fluoro-4-methyl-2-phenylbenzene
CID 166546525
2-(3-methyl-5-phenylimidazol-4-yl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione
CID 10471568
2-(1-methyl-5-phenylimidazol-4-yl)pyridine-4-carbonitrile
CID 90440547
4,5-diphenyl-1-prop-1-ynylimidazole
CID 170637236
5-fluoro-3-methyl-2-phenylpyridine
CID 46314858

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluoro-3-methylphenyl)-1-methyl-4-phenylimidazole?
The IUPAC name of 5-(2,6-difluoro-3-methylphenyl)-1-methyl-4-phenylimidazole (CID 50967402) is 5-(2,6-difluoro-3-methylphenyl)-1-methyl-4-phenylimidazole.
What is the SMILES notation for 5-(2,6-difluoro-3-methylphenyl)-1-methyl-4-phenylimidazole?
The canonical SMILES for 5-(2,6-difluoro-3-methylphenyl)-1-methyl-4-phenylimidazole is Cc1ccc(F)c(-c2c(-c3ccccc3)ncn2C)c1F.
What is the InChIKey of 5-(2,6-difluoro-3-methylphenyl)-1-methyl-4-phenylimidazole?
The InChIKey is UBRNUHGZUDAQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2/c1-11-8-9-13(18)14(15(11)19)17-16(20-10-21(17)2)12-6-4-3-5-7-12/h3-10H,1-2H3.
What are the key properties of 5-(2,6-difluoro-3-methylphenyl)-1-methyl-4-phenylimidazole?
5-(2,6-difluoro-3-methylphenyl)-1-methyl-4-phenylimidazole has a molecular weight of 284.31 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluoro-3-methylphenyl)-1-methyl-4-phenylimidazole is sourced from PubChem (CID 50967402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).