1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole

C33H24N6 — CID 102142171

IUPAC1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
SMILESc1cn(-c2ccc(-c3cc(-c4ccc(-n5ccnc5)cc4)cc(-c4ccc(-n5ccnc5)cc4)c3)cc2)cn1
InChIInChI=1S/C33H24N6/c1-7-31(37-16-13-34-22-37)8-2-25(1)28-19-29(26-3-9-32(10-4-26)38-17-14-35-23-38)21-30(20-28)27-5-11-33(12-6-27)39-18-15-36-24-39/h1-24H
InChIKeySKSQXMCTBMPKSN-UHFFFAOYSA-N
MW504.60 g/mol
LogP7.24
Rot. Bonds6

About 1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole

1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole (PubChem CID 102142171) has the molecular formula C33H24N6 and a molecular weight of 504.60 g/mol. Its IUPAC name is 1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole.

Molecular Properties

Compound Name1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
PubChem CID102142171
Molecular FormulaC33H24N6
Molecular Weight504.60 g/mol
Exact Mass504.21
IUPAC Name1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
SMILESc1cn(-c2ccc(-c3cc(-c4ccc(-n5ccnc5)cc4)cc(-c4ccc(-n5ccnc5)cc4)c3)cc2)cn1
InChIInChI=1S/C33H24N6/c1-7-31(37-16-13-34-22-37)8-2-25(1)28-19-29(26-3-9-32(10-4-26)38-17-14-35-23-38)21-30(20-28)27-5-11-33(12-6-27)39-18-15-36-24-39/h1-24H
InChIKeySKSQXMCTBMPKSN-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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Related Compounds

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3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine
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(4-imidazol-1-ylphenyl)arsane
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1-[4-[1,2,2-tris(4-imidazol-1-ylphenyl)ethyl]phenyl]imidazole
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4-imidazol-1-ylaniline;trihydrochloride
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1-(4-prop-2-enylphenyl)imidazole
CID 55274314
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CID 23644748
tris(4-imidazol-1-ylphenyl) borate
CID 69353024
1-(4-prop-2-enoxyphenyl)imidazole
CID 67611559
3-(4-imidazol-1-ylphenyl)-4-methyl-1H-pyridazine-6-thione
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole?
The IUPAC name of 1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole (CID 102142171) is 1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole.
What is the SMILES notation for 1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole?
The canonical SMILES for 1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole is c1cn(-c2ccc(-c3cc(-c4ccc(-n5ccnc5)cc4)cc(-c4ccc(-n5ccnc5)cc4)c3)cc2)cn1.
What is the InChIKey of 1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole?
The InChIKey is SKSQXMCTBMPKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N6/c1-7-31(37-16-13-34-22-37)8-2-25(1)28-19-29(26-3-9-32(10-4-26)38-17-14-35-23-38)21-30(20-28)27-5-11-33(12-6-27)39-18-15-36-24-39/h1-24H.
What are the key properties of 1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole?
1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole 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 1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole is sourced from PubChem (CID 102142171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).