3-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]quinoline

C23H19N5 — CID 50977151

IUPAC3-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]quinoline
SMILESc1ccc(-c2ncn(CCc3cnc[nH]3)c2-c2cnc3ccccc3c2)cc1
InChIInChI=1S/C23H19N5/c1-2-6-17(7-3-1)22-23(19-12-18-8-4-5-9-21(18)25-13-19)28(16-27-22)11-10-20-14-24-15-26-20/h1-9,12-16H,10-11H2,(H,24,26)
InChIKeyAHAHPGZWZGLZMY-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.73
Rot. Bonds5

About 3-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]quinoline

3-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]quinoline (PubChem CID 50977151) has the molecular formula C23H19N5 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]quinoline.

Molecular Properties

Compound Name3-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]quinoline
PubChem CID50977151
Molecular FormulaC23H19N5
Molecular Weight365.44 g/mol
Exact Mass365.16
IUPAC Name3-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]quinoline
SMILESc1ccc(-c2ncn(CCc3cnc[nH]3)c2-c2cnc3ccccc3c2)cc1
InChIInChI=1S/C23H19N5/c1-2-6-17(7-3-1)22-23(19-12-18-8-4-5-9-21(18)25-13-19)28(16-27-22)11-10-20-14-24-15-26-20/h1-9,12-16H,10-11H2,(H,24,26)
InChIKeyAHAHPGZWZGLZMY-UHFFFAOYSA-N
XLogP4.73
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]quinoline 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 3-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]quinoline?
The IUPAC name of 3-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]quinoline (CID 50977151) is 3-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]quinoline.
What is the SMILES notation for 3-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]quinoline?
The canonical SMILES for 3-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]quinoline is c1ccc(-c2ncn(CCc3cnc[nH]3)c2-c2cnc3ccccc3c2)cc1.
What is the InChIKey of 3-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]quinoline?
The InChIKey is AHAHPGZWZGLZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5/c1-2-6-17(7-3-1)22-23(19-12-18-8-4-5-9-21(18)25-13-19)28(16-27-22)11-10-20-14-24-15-26-20/h1-9,12-16H,10-11H2,(H,24,26).
What are the key properties of 3-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]quinoline?
3-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]quinoline has a molecular weight of 365.44 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]quinoline is sourced from PubChem (CID 50977151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).