5-(2-chlorophenyl)-2,7-bis(trifluoromethyl)-3,4-dihydroimidazo[4,5-c][1,8]naphthyridine

C17H9ClF6N4 — CID 172741540

IUPAC5-(2-chlorophenyl)-2,7-bis(trifluoromethyl)-3,4-dihydroimidazo[4,5-c][1,8]naphthyridine
SMILESFC(F)(F)c1ccc2c(n1)N(c1ccccc1Cl)Cc1[nH]c(C(F)(F)F)nc1-2
InChIInChI=1S/C17H9ClF6N4/c18-9-3-1-2-4-11(9)28-7-10-13(27-15(25-10)17(22,23)24)8-5-6-12(16(19,20)21)26-14(8)28/h1-6H,7H2,(H,25,27)
InChIKeyJDXGQRFVMODXMP-UHFFFAOYSA-N
MW418.73 g/mol
LogP5.81
Rot. Bonds1

About 5-(2-chlorophenyl)-2,7-bis(trifluoromethyl)-3,4-dihydroimidazo[4,5-c][1,8]naphthyridine

5-(2-chlorophenyl)-2,7-bis(trifluoromethyl)-3,4-dihydroimidazo[4,5-c][1,8]naphthyridine (PubChem CID 172741540) has the molecular formula C17H9ClF6N4 and a molecular weight of 418.73 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2,7-bis(trifluoromethyl)-3,4-dihydroimidazo[4,5-c][1,8]naphthyridine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2,7-bis(trifluoromethyl)-3,4-dihydroimidazo[4,5-c][1,8]naphthyridine
PubChem CID172741540
Molecular FormulaC17H9ClF6N4
Molecular Weight418.73 g/mol
Exact Mass418.04
IUPAC Name5-(2-chlorophenyl)-2,7-bis(trifluoromethyl)-3,4-dihydroimidazo[4,5-c][1,8]naphthyridine
SMILESFC(F)(F)c1ccc2c(n1)N(c1ccccc1Cl)Cc1[nH]c(C(F)(F)F)nc1-2
InChIInChI=1S/C17H9ClF6N4/c18-9-3-1-2-4-11(9)28-7-10-13(27-15(25-10)17(22,23)24)8-5-6-12(16(19,20)21)26-14(8)28/h1-6H,7H2,(H,25,27)
InChIKeyJDXGQRFVMODXMP-UHFFFAOYSA-N
XLogP5.81
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.73
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2,7-bis(trifluoromethyl)-3,4-dihydroimidazo[4,5-c][1,8]naphthyridine?
The IUPAC name of 5-(2-chlorophenyl)-2,7-bis(trifluoromethyl)-3,4-dihydroimidazo[4,5-c][1,8]naphthyridine (CID 172741540) is 5-(2-chlorophenyl)-2,7-bis(trifluoromethyl)-3,4-dihydroimidazo[4,5-c][1,8]naphthyridine.
What is the SMILES notation for 5-(2-chlorophenyl)-2,7-bis(trifluoromethyl)-3,4-dihydroimidazo[4,5-c][1,8]naphthyridine?
The canonical SMILES for 5-(2-chlorophenyl)-2,7-bis(trifluoromethyl)-3,4-dihydroimidazo[4,5-c][1,8]naphthyridine is FC(F)(F)c1ccc2c(n1)N(c1ccccc1Cl)Cc1[nH]c(C(F)(F)F)nc1-2.
What is the InChIKey of 5-(2-chlorophenyl)-2,7-bis(trifluoromethyl)-3,4-dihydroimidazo[4,5-c][1,8]naphthyridine?
The InChIKey is JDXGQRFVMODXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF6N4/c18-9-3-1-2-4-11(9)28-7-10-13(27-15(25-10)17(22,23)24)8-5-6-12(16(19,20)21)26-14(8)28/h1-6H,7H2,(H,25,27).
What are the key properties of 5-(2-chlorophenyl)-2,7-bis(trifluoromethyl)-3,4-dihydroimidazo[4,5-c][1,8]naphthyridine?
5-(2-chlorophenyl)-2,7-bis(trifluoromethyl)-3,4-dihydroimidazo[4,5-c][1,8]naphthyridine has a molecular weight of 418.73 g/mol, XLogP of 5.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2,7-bis(trifluoromethyl)-3,4-dihydroimidazo[4,5-c][1,8]naphthyridine is sourced from PubChem (CID 172741540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).