4-[3-(3-imidazol-1-ylpropyl)-5-phenylimidazol-4-yl]phenol

C21H20N4O — CID 50960806

IUPAC4-[3-(3-imidazol-1-ylpropyl)-5-phenylimidazol-4-yl]phenol
SMILESOc1ccc(-c2c(-c3ccccc3)ncn2CCCn2ccnc2)cc1
InChIInChI=1S/C21H20N4O/c26-19-9-7-18(8-10-19)21-20(17-5-2-1-3-6-17)23-16-25(21)13-4-12-24-14-11-22-15-24/h1-3,5-11,14-16,26H,4,12-13H2
InChIKeyZBOJTKWFNFBAPJ-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.21
Rot. Bonds6

About 4-[3-(3-imidazol-1-ylpropyl)-5-phenylimidazol-4-yl]phenol

4-[3-(3-imidazol-1-ylpropyl)-5-phenylimidazol-4-yl]phenol (PubChem CID 50960806) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[3-(3-imidazol-1-ylpropyl)-5-phenylimidazol-4-yl]phenol.

Molecular Properties

Compound Name4-[3-(3-imidazol-1-ylpropyl)-5-phenylimidazol-4-yl]phenol
PubChem CID50960806
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name4-[3-(3-imidazol-1-ylpropyl)-5-phenylimidazol-4-yl]phenol
SMILESOc1ccc(-c2c(-c3ccccc3)ncn2CCCn2ccnc2)cc1
InChIInChI=1S/C21H20N4O/c26-19-9-7-18(8-10-19)21-20(17-5-2-1-3-6-17)23-16-25(21)13-4-12-24-14-11-22-15-24/h1-3,5-11,14-16,26H,4,12-13H2
InChIKeyZBOJTKWFNFBAPJ-UHFFFAOYSA-N
XLogP4.21
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-imidazol-1-ylpropyl)-5-phenylimidazol-4-yl]phenol?
The IUPAC name of 4-[3-(3-imidazol-1-ylpropyl)-5-phenylimidazol-4-yl]phenol (CID 50960806) is 4-[3-(3-imidazol-1-ylpropyl)-5-phenylimidazol-4-yl]phenol.
What is the SMILES notation for 4-[3-(3-imidazol-1-ylpropyl)-5-phenylimidazol-4-yl]phenol?
The canonical SMILES for 4-[3-(3-imidazol-1-ylpropyl)-5-phenylimidazol-4-yl]phenol is Oc1ccc(-c2c(-c3ccccc3)ncn2CCCn2ccnc2)cc1.
What is the InChIKey of 4-[3-(3-imidazol-1-ylpropyl)-5-phenylimidazol-4-yl]phenol?
The InChIKey is ZBOJTKWFNFBAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c26-19-9-7-18(8-10-19)21-20(17-5-2-1-3-6-17)23-16-25(21)13-4-12-24-14-11-22-15-24/h1-3,5-11,14-16,26H,4,12-13H2.
What are the key properties of 4-[3-(3-imidazol-1-ylpropyl)-5-phenylimidazol-4-yl]phenol?
4-[3-(3-imidazol-1-ylpropyl)-5-phenylimidazol-4-yl]phenol has a molecular weight of 344.42 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-imidazol-1-ylpropyl)-5-phenylimidazol-4-yl]phenol is sourced from PubChem (CID 50960806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).