4-(1-methylimidazol-2-yl)-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid

C20H16F3N5O2 — CID 129316106

IUPAC4-(1-methylimidazol-2-yl)-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid
SMILESCn1ccnc1-c1ccnc(-c2ncc(-c3ccccc3)[nH]2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H15N5.C2HF3O2/c1-23-10-9-20-18(23)14-7-8-19-15(11-14)17-21-12-16(22-17)13-5-3-2-4-6-13;3-2(4,5)1(6)7/h2-12H,1H3,(H,21,22);(H,6,7)
InChIKeyGIIPMTFDIBYDIR-UHFFFAOYSA-N
MW415.38 g/mol
LogP4.17
Rot. Bonds3

About 4-(1-methylimidazol-2-yl)-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid

4-(1-methylimidazol-2-yl)-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid (PubChem CID 129316106) has the molecular formula C20H16F3N5O2 and a molecular weight of 415.38 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid
PubChem CID129316106
Molecular FormulaC20H16F3N5O2
Molecular Weight415.38 g/mol
Exact Mass415.13
IUPAC Name4-(1-methylimidazol-2-yl)-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid
SMILESCn1ccnc1-c1ccnc(-c2ncc(-c3ccccc3)[nH]2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H15N5.C2HF3O2/c1-23-10-9-20-18(23)14-7-8-19-15(11-14)17-21-12-16(22-17)13-5-3-2-4-6-13;3-2(4,5)1(6)7/h2-12H,1H3,(H,21,22);(H,6,7)
InChIKeyGIIPMTFDIBYDIR-UHFFFAOYSA-N
XLogP4.17
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(1-methylimidazol-2-yl)-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(1-methylimidazol-2-yl)-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid (CID 129316106) is 4-(1-methylimidazol-2-yl)-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(1-methylimidazol-2-yl)-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid is Cn1ccnc1-c1ccnc(-c2ncc(-c3ccccc3)[nH]2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(1-methylimidazol-2-yl)-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is GIIPMTFDIBYDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5.C2HF3O2/c1-23-10-9-20-18(23)14-7-8-19-15(11-14)17-21-12-16(22-17)13-5-3-2-4-6-13;3-2(4,5)1(6)7/h2-12H,1H3,(H,21,22);(H,6,7).
What are the key properties of 4-(1-methylimidazol-2-yl)-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid?
4-(1-methylimidazol-2-yl)-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 415.38 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 129316106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).