6-[2-ethyl-4-(4-fluoro-3-methylphenyl)-1H-imidazol-5-yl]quinoline

C21H18FN3 — CID 122510804

IUPAC6-[2-ethyl-4-(4-fluoro-3-methylphenyl)-1H-imidazol-5-yl]quinoline
SMILESCCc1nc(-c2ccc(F)c(C)c2)c(-c2ccc3ncccc3c2)[nH]1
InChIInChI=1S/C21H18FN3/c1-3-19-24-20(15-6-8-17(22)13(2)11-15)21(25-19)16-7-9-18-14(12-16)5-4-10-23-18/h4-12H,3H2,1-2H3,(H,24,25)
InChIKeyLIKBZTZESCKFFS-UHFFFAOYSA-N
MW331.39 g/mol
LogP5.30
Rot. Bonds3

About 6-[2-ethyl-4-(4-fluoro-3-methylphenyl)-1H-imidazol-5-yl]quinoline

6-[2-ethyl-4-(4-fluoro-3-methylphenyl)-1H-imidazol-5-yl]quinoline (PubChem CID 122510804) has the molecular formula C21H18FN3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 6-[2-ethyl-4-(4-fluoro-3-methylphenyl)-1H-imidazol-5-yl]quinoline.

Molecular Properties

Compound Name6-[2-ethyl-4-(4-fluoro-3-methylphenyl)-1H-imidazol-5-yl]quinoline
PubChem CID122510804
Molecular FormulaC21H18FN3
Molecular Weight331.39 g/mol
Exact Mass331.15
IUPAC Name6-[2-ethyl-4-(4-fluoro-3-methylphenyl)-1H-imidazol-5-yl]quinoline
SMILESCCc1nc(-c2ccc(F)c(C)c2)c(-c2ccc3ncccc3c2)[nH]1
InChIInChI=1S/C21H18FN3/c1-3-19-24-20(15-6-8-17(22)13(2)11-15)21(25-19)16-7-9-18-14(12-16)5-4-10-23-18/h4-12H,3H2,1-2H3,(H,24,25)
InChIKeyLIKBZTZESCKFFS-UHFFFAOYSA-N
XLogP5.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.39
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[2-methyl-4-(3,4,5-trifluorophenyl)-1H-imidazol-5-yl]quinoline
CID 122510407
6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62875217
6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
CID 44545506
6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
CID 59160543
6-[4-(3,4-difluorophenyl)-2-ethyl-1H-imidazol-5-yl]-1H-indazole
CID 122510760
4-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenol
CID 59869021
6-[2-[(4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
CID 59869013
6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline
CID 44546002
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline
CID 90094641
2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenol
CID 59160535
1-(4-fluoro-3-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 63096854
N-ethyl-5,6-dimethyl-3-quinolin-6-ylpyrazin-2-amine
CID 81227648

Frequently Asked Questions

What is the IUPAC name of 6-[2-ethyl-4-(4-fluoro-3-methylphenyl)-1H-imidazol-5-yl]quinoline?
The IUPAC name of 6-[2-ethyl-4-(4-fluoro-3-methylphenyl)-1H-imidazol-5-yl]quinoline (CID 122510804) is 6-[2-ethyl-4-(4-fluoro-3-methylphenyl)-1H-imidazol-5-yl]quinoline.
What is the SMILES notation for 6-[2-ethyl-4-(4-fluoro-3-methylphenyl)-1H-imidazol-5-yl]quinoline?
The canonical SMILES for 6-[2-ethyl-4-(4-fluoro-3-methylphenyl)-1H-imidazol-5-yl]quinoline is CCc1nc(-c2ccc(F)c(C)c2)c(-c2ccc3ncccc3c2)[nH]1.
What is the InChIKey of 6-[2-ethyl-4-(4-fluoro-3-methylphenyl)-1H-imidazol-5-yl]quinoline?
The InChIKey is LIKBZTZESCKFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3/c1-3-19-24-20(15-6-8-17(22)13(2)11-15)21(25-19)16-7-9-18-14(12-16)5-4-10-23-18/h4-12H,3H2,1-2H3,(H,24,25).
What are the key properties of 6-[2-ethyl-4-(4-fluoro-3-methylphenyl)-1H-imidazol-5-yl]quinoline?
6-[2-ethyl-4-(4-fluoro-3-methylphenyl)-1H-imidazol-5-yl]quinoline has a molecular weight of 331.39 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-ethyl-4-(4-fluoro-3-methylphenyl)-1H-imidazol-5-yl]quinoline is sourced from PubChem (CID 122510804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).