5-(3-ethylimidazol-4-yl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole

C19H20N6 — CID 50977981

IUPAC5-(3-ethylimidazol-4-yl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole
SMILESCCn1cncc1-c1c(-c2ccccc2)ncn1CCc1cnc[nH]1
InChIInChI=1S/C19H20N6/c1-2-24-13-21-11-17(24)19-18(15-6-4-3-5-7-15)23-14-25(19)9-8-16-10-20-12-22-16/h3-7,10-14H,2,8-9H2,1H3,(H,20,22)
InChIKeyBIYSCIMBBOYAAZ-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.40
Rot. Bonds6

About 5-(3-ethylimidazol-4-yl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole

5-(3-ethylimidazol-4-yl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole (PubChem CID 50977981) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-(3-ethylimidazol-4-yl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole.

Molecular Properties

Compound Name5-(3-ethylimidazol-4-yl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole
PubChem CID50977981
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name5-(3-ethylimidazol-4-yl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole
SMILESCCn1cncc1-c1c(-c2ccccc2)ncn1CCc1cnc[nH]1
InChIInChI=1S/C19H20N6/c1-2-24-13-21-11-17(24)19-18(15-6-4-3-5-7-15)23-14-25(19)9-8-16-10-20-12-22-16/h3-7,10-14H,2,8-9H2,1H3,(H,20,22)
InChIKeyBIYSCIMBBOYAAZ-UHFFFAOYSA-N
XLogP3.40
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-ethylimidazol-4-yl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole 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 5-(3-ethylimidazol-4-yl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole?
The IUPAC name of 5-(3-ethylimidazol-4-yl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole (CID 50977981) is 5-(3-ethylimidazol-4-yl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole.
What is the SMILES notation for 5-(3-ethylimidazol-4-yl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole?
The canonical SMILES for 5-(3-ethylimidazol-4-yl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole is CCn1cncc1-c1c(-c2ccccc2)ncn1CCc1cnc[nH]1.
What is the InChIKey of 5-(3-ethylimidazol-4-yl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole?
The InChIKey is BIYSCIMBBOYAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-2-24-13-21-11-17(24)19-18(15-6-4-3-5-7-15)23-14-25(19)9-8-16-10-20-12-22-16/h3-7,10-14H,2,8-9H2,1H3,(H,20,22).
What are the key properties of 5-(3-ethylimidazol-4-yl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole?
5-(3-ethylimidazol-4-yl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole has a molecular weight of 332.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylimidazol-4-yl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole is sourced from PubChem (CID 50977981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).