2-[3,5-bis(1-phenylimidazol-2-yl)phenyl]-1-phenylimidazole

C33H24N6 — CID 102286362

IUPAC2-[3,5-bis(1-phenylimidazol-2-yl)phenyl]-1-phenylimidazole
SMILESc1ccc(-n2ccnc2-c2cc(-c3nccn3-c3ccccc3)cc(-c3nccn3-c3ccccc3)c2)cc1
InChIInChI=1S/C33H24N6/c1-4-10-28(11-5-1)37-19-16-34-31(37)25-22-26(32-35-17-20-38(32)29-12-6-2-7-13-29)24-27(23-25)33-36-18-21-39(33)30-14-8-3-9-15-30/h1-24H
InChIKeyLHSSYZFSZCIHAP-UHFFFAOYSA-N
MW504.60 g/mol
LogP7.24
Rot. Bonds6

About 2-[3,5-bis(1-phenylimidazol-2-yl)phenyl]-1-phenylimidazole

2-[3,5-bis(1-phenylimidazol-2-yl)phenyl]-1-phenylimidazole (PubChem CID 102286362) has the molecular formula C33H24N6 and a molecular weight of 504.60 g/mol. Its IUPAC name is 2-[3,5-bis(1-phenylimidazol-2-yl)phenyl]-1-phenylimidazole.

Molecular Properties

Compound Name2-[3,5-bis(1-phenylimidazol-2-yl)phenyl]-1-phenylimidazole
PubChem CID102286362
Molecular FormulaC33H24N6
Molecular Weight504.60 g/mol
Exact Mass504.21
IUPAC Name2-[3,5-bis(1-phenylimidazol-2-yl)phenyl]-1-phenylimidazole
SMILESc1ccc(-n2ccnc2-c2cc(-c3nccn3-c3ccccc3)cc(-c3nccn3-c3ccccc3)c2)cc1
InChIInChI=1S/C33H24N6/c1-4-10-28(11-5-1)37-19-16-34-31(37)25-22-26(32-35-17-20-38(32)29-12-6-2-7-13-29)24-27(23-25)33-36-18-21-39(33)30-14-8-3-9-15-30/h1-24H
InChIKeyLHSSYZFSZCIHAP-UHFFFAOYSA-N
XLogP7.24
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.60
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(1-phenylimidazol-2-yl)phenyl]-1-phenylimidazole?
The IUPAC name of 2-[3,5-bis(1-phenylimidazol-2-yl)phenyl]-1-phenylimidazole (CID 102286362) is 2-[3,5-bis(1-phenylimidazol-2-yl)phenyl]-1-phenylimidazole.
What is the SMILES notation for 2-[3,5-bis(1-phenylimidazol-2-yl)phenyl]-1-phenylimidazole?
The canonical SMILES for 2-[3,5-bis(1-phenylimidazol-2-yl)phenyl]-1-phenylimidazole is c1ccc(-n2ccnc2-c2cc(-c3nccn3-c3ccccc3)cc(-c3nccn3-c3ccccc3)c2)cc1.
What is the InChIKey of 2-[3,5-bis(1-phenylimidazol-2-yl)phenyl]-1-phenylimidazole?
The InChIKey is LHSSYZFSZCIHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N6/c1-4-10-28(11-5-1)37-19-16-34-31(37)25-22-26(32-35-17-20-38(32)29-12-6-2-7-13-29)24-27(23-25)33-36-18-21-39(33)30-14-8-3-9-15-30/h1-24H.
What are the key properties of 2-[3,5-bis(1-phenylimidazol-2-yl)phenyl]-1-phenylimidazole?
2-[3,5-bis(1-phenylimidazol-2-yl)phenyl]-1-phenylimidazole has a molecular weight of 504.60 g/mol, XLogP of 7.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(1-phenylimidazol-2-yl)phenyl]-1-phenylimidazole is sourced from PubChem (CID 102286362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).