6-[2-methyl-4-(3,4,5-trifluorophenyl)-1H-imidazol-5-yl]quinoline

C19H12F3N3 — CID 122510407

IUPAC6-[2-methyl-4-(3,4,5-trifluorophenyl)-1H-imidazol-5-yl]quinoline
SMILESCc1nc(-c2cc(F)c(F)c(F)c2)c(-c2ccc3ncccc3c2)[nH]1
InChIInChI=1S/C19H12F3N3/c1-10-24-18(12-4-5-16-11(7-12)3-2-6-23-16)19(25-10)13-8-14(20)17(22)15(21)9-13/h2-9H,1H3,(H,24,25)
InChIKeyNSRYFRPHASLGHF-UHFFFAOYSA-N
MW339.32 g/mol
LogP5.02
Rot. Bonds2

About 6-[2-methyl-4-(3,4,5-trifluorophenyl)-1H-imidazol-5-yl]quinoline

6-[2-methyl-4-(3,4,5-trifluorophenyl)-1H-imidazol-5-yl]quinoline (PubChem CID 122510407) has the molecular formula C19H12F3N3 and a molecular weight of 339.32 g/mol. Its IUPAC name is 6-[2-methyl-4-(3,4,5-trifluorophenyl)-1H-imidazol-5-yl]quinoline.

Molecular Properties

Compound Name6-[2-methyl-4-(3,4,5-trifluorophenyl)-1H-imidazol-5-yl]quinoline
PubChem CID122510407
Molecular FormulaC19H12F3N3
Molecular Weight339.32 g/mol
Exact Mass339.10
IUPAC Name6-[2-methyl-4-(3,4,5-trifluorophenyl)-1H-imidazol-5-yl]quinoline
SMILESCc1nc(-c2cc(F)c(F)c(F)c2)c(-c2ccc3ncccc3c2)[nH]1
InChIInChI=1S/C19H12F3N3/c1-10-24-18(12-4-5-16-11(7-12)3-2-6-23-16)19(25-10)13-8-14(20)17(22)15(21)9-13/h2-9H,1H3,(H,24,25)
InChIKeyNSRYFRPHASLGHF-UHFFFAOYSA-N
XLogP5.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.32
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-[2-ethyl-4-(4-fluoro-3-methylphenyl)-1H-imidazol-5-yl]quinoline
CID 122510804
6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62875043
2-fluoro-6-quinolin-6-ylaniline
CID 107602869
6-(3-methylphenyl)quinoline
CID 4185278
6-(1H-azirin-2-yl)quinoline
CID 146540612
2-fluoro-3-(6-methyl-3-quinolin-6-ylpyrazin-2-yl)benzonitrile
CID 165020634
6-[2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
CID 44545506
6-methylquinoline
CID 7059
N,4,5-trimethyl-6-quinolin-6-ylpyridazin-3-amine
CID 81221120
4-methyl-3-quinolin-6-ylaniline
CID 81224667
7-(4-fluorophenyl)-8-quinolin-6-ylpyrido[3,4-b]pyrazin-5-amine
CID 146801526
6-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)quinoline
CID 63724172

Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-4-(3,4,5-trifluorophenyl)-1H-imidazol-5-yl]quinoline?
The IUPAC name of 6-[2-methyl-4-(3,4,5-trifluorophenyl)-1H-imidazol-5-yl]quinoline (CID 122510407) is 6-[2-methyl-4-(3,4,5-trifluorophenyl)-1H-imidazol-5-yl]quinoline.
What is the SMILES notation for 6-[2-methyl-4-(3,4,5-trifluorophenyl)-1H-imidazol-5-yl]quinoline?
The canonical SMILES for 6-[2-methyl-4-(3,4,5-trifluorophenyl)-1H-imidazol-5-yl]quinoline is Cc1nc(-c2cc(F)c(F)c(F)c2)c(-c2ccc3ncccc3c2)[nH]1.
What is the InChIKey of 6-[2-methyl-4-(3,4,5-trifluorophenyl)-1H-imidazol-5-yl]quinoline?
The InChIKey is NSRYFRPHASLGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3/c1-10-24-18(12-4-5-16-11(7-12)3-2-6-23-16)19(25-10)13-8-14(20)17(22)15(21)9-13/h2-9H,1H3,(H,24,25).
What are the key properties of 6-[2-methyl-4-(3,4,5-trifluorophenyl)-1H-imidazol-5-yl]quinoline?
6-[2-methyl-4-(3,4,5-trifluorophenyl)-1H-imidazol-5-yl]quinoline has a molecular weight of 339.32 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-4-(3,4,5-trifluorophenyl)-1H-imidazol-5-yl]quinoline is sourced from PubChem (CID 122510407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).