4-methyl-8-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine

C19H14F3N3 — CID 139055155

IUPAC4-methyl-8-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine
SMILESCc1ccc(-c2cn3c(ccc4c(C)cc(C(F)(F)F)nc43)n2)cc1
InChIInChI=1S/C19H14F3N3/c1-11-3-5-13(6-4-11)15-10-25-17(23-15)8-7-14-12(2)9-16(19(20,21)22)24-18(14)25/h3-10H,1-2H3
InChIKeyZNBJDRFHHDKHMB-UHFFFAOYSA-N
MW341.34 g/mol
LogP5.19
Rot. Bonds1

About 4-methyl-8-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine

4-methyl-8-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine (PubChem CID 139055155) has the molecular formula C19H14F3N3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 4-methyl-8-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine.

Molecular Properties

Compound Name4-methyl-8-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine
PubChem CID139055155
Molecular FormulaC19H14F3N3
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC Name4-methyl-8-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine
SMILESCc1ccc(-c2cn3c(ccc4c(C)cc(C(F)(F)F)nc43)n2)cc1
InChIInChI=1S/C19H14F3N3/c1-11-3-5-13(6-4-11)15-10-25-17(23-15)8-7-14-12(2)9-16(19(20,21)22)24-18(14)25/h3-10H,1-2H3
InChIKeyZNBJDRFHHDKHMB-UHFFFAOYSA-N
XLogP5.19
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.34
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine?
The IUPAC name of 4-methyl-8-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine (CID 139055155) is 4-methyl-8-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine.
What is the SMILES notation for 4-methyl-8-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine?
The canonical SMILES for 4-methyl-8-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine is Cc1ccc(-c2cn3c(ccc4c(C)cc(C(F)(F)F)nc43)n2)cc1.
What is the InChIKey of 4-methyl-8-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine?
The InChIKey is ZNBJDRFHHDKHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3/c1-11-3-5-13(6-4-11)15-10-25-17(23-15)8-7-14-12(2)9-16(19(20,21)22)24-18(14)25/h3-10H,1-2H3.
What are the key properties of 4-methyl-8-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine?
4-methyl-8-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine has a molecular weight of 341.34 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(4-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine is sourced from PubChem (CID 139055155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).