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

C23H20N6 — CID 50980515

IUPAC2-[2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]pyridine
SMILESc1ccc(-c2ncn(CCc3cnc[nH]3)c2-c2cccn2-c2ccccn2)cc1
InChIInChI=1S/C23H20N6/c1-2-7-18(8-3-1)22-23(28(17-27-22)14-11-19-15-24-16-26-19)20-9-6-13-29(20)21-10-4-5-12-25-21/h1-10,12-13,15-17H,11,14H2,(H,24,26)
InChIKeySHPDBUYLCGOBDG-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.37
Rot. Bonds6

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

2-[2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]pyridine (PubChem CID 50980515) has the molecular formula C23H20N6 and a molecular weight of 380.46 g/mol. Its IUPAC name is 2-[2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]pyridine.

Molecular Properties

Compound Name2-[2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]pyridine
PubChem CID50980515
Molecular FormulaC23H20N6
Molecular Weight380.46 g/mol
Exact Mass380.17
IUPAC Name2-[2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]pyridine
SMILESc1ccc(-c2ncn(CCc3cnc[nH]3)c2-c2cccn2-c2ccccn2)cc1
InChIInChI=1S/C23H20N6/c1-2-7-18(8-3-1)22-23(28(17-27-22)14-11-19-15-24-16-26-19)20-9-6-13-29(20)21-10-4-5-12-25-21/h1-10,12-13,15-17H,11,14H2,(H,24,26)
InChIKeySHPDBUYLCGOBDG-UHFFFAOYSA-N
XLogP4.37
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]pyridine?
The IUPAC name of 2-[2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]pyridine (CID 50980515) is 2-[2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]pyridine.
What is the SMILES notation for 2-[2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]pyridine?
The canonical SMILES for 2-[2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]pyridine is c1ccc(-c2ncn(CCc3cnc[nH]3)c2-c2cccn2-c2ccccn2)cc1.
What is the InChIKey of 2-[2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]pyridine?
The InChIKey is SHPDBUYLCGOBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6/c1-2-7-18(8-3-1)22-23(28(17-27-22)14-11-19-15-24-16-26-19)20-9-6-13-29(20)21-10-4-5-12-25-21/h1-10,12-13,15-17H,11,14H2,(H,24,26).
What are the key properties of 2-[2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]pyridine?
2-[2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]pyridine has a molecular weight of 380.46 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyrrol-1-yl]pyridine is sourced from PubChem (CID 50980515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).