6-N-(2-chlorophenyl)-2-N-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-2,6-diamine

C20H15ClF3N5 — CID 71448877

IUPAC6-N-(2-chlorophenyl)-2-N-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-2,6-diamine
SMILESCNc1nc2cnc(Nc3ccccc3Cl)cc2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H15ClF3N5/c1-25-19-28-16-11-26-18(27-15-8-3-2-7-14(15)21)10-17(16)29(19)13-6-4-5-12(9-13)20(22,23)24/h2-11H,1H3,(H,25,28)(H,26,27)
InChIKeyQTIRHEFSWYHBIZ-UHFFFAOYSA-N
MW417.82 g/mol
LogP5.88
Rot. Bonds4

About 6-N-(2-chlorophenyl)-2-N-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-2,6-diamine

6-N-(2-chlorophenyl)-2-N-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-2,6-diamine (PubChem CID 71448877) has the molecular formula C20H15ClF3N5 and a molecular weight of 417.82 g/mol. Its IUPAC name is 6-N-(2-chlorophenyl)-2-N-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-chlorophenyl)-2-N-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-2,6-diamine
PubChem CID71448877
Molecular FormulaC20H15ClF3N5
Molecular Weight417.82 g/mol
Exact Mass417.10
IUPAC Name6-N-(2-chlorophenyl)-2-N-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-2,6-diamine
SMILESCNc1nc2cnc(Nc3ccccc3Cl)cc2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H15ClF3N5/c1-25-19-28-16-11-26-18(27-15-8-3-2-7-14(15)21)10-17(16)29(19)13-6-4-5-12(9-13)20(22,23)24/h2-11H,1H3,(H,25,28)(H,26,27)
InChIKeyQTIRHEFSWYHBIZ-UHFFFAOYSA-N
XLogP5.88
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.82
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N-(2-chlorophenyl)-2-N-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-2,6-diamine with MolForge

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Related Compounds

5-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]isoquinolin-3-amine
CID 177312580
6-N-(2-chlorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717101
2-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine
CID 80833737
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112865738
2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde
CID 102201293
6-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 63962611
2-[6-(methylamino)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
CID 135267110
8-chloro-1,3-dimethyl-7-[3-(trifluoromethyl)phenyl]purine-2,6-dione
CID 57498908
2-propyl-3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
CID 117165971
1,3-bis[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
CID 11362239
2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide
CID 45137150
N-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-amine
CID 118094951

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-chlorophenyl)-2-N-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-2,6-diamine?
The IUPAC name of 6-N-(2-chlorophenyl)-2-N-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-2,6-diamine (CID 71448877) is 6-N-(2-chlorophenyl)-2-N-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-chlorophenyl)-2-N-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-chlorophenyl)-2-N-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-2,6-diamine is CNc1nc2cnc(Nc3ccccc3Cl)cc2n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-N-(2-chlorophenyl)-2-N-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-2,6-diamine?
The InChIKey is QTIRHEFSWYHBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N5/c1-25-19-28-16-11-26-18(27-15-8-3-2-7-14(15)21)10-17(16)29(19)13-6-4-5-12(9-13)20(22,23)24/h2-11H,1H3,(H,25,28)(H,26,27).
What are the key properties of 6-N-(2-chlorophenyl)-2-N-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-2,6-diamine?
6-N-(2-chlorophenyl)-2-N-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-2,6-diamine has a molecular weight of 417.82 g/mol, XLogP of 5.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-chlorophenyl)-2-N-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-2,6-diamine is sourced from PubChem (CID 71448877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).