2-(4,5-diphenyl-1H-imidazol-2-yl)benzonitrile

C22H15N3 — CID 139214742

IUPAC2-(4,5-diphenyl-1H-imidazol-2-yl)benzonitrile
SMILESN#Cc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C22H15N3/c23-15-18-13-7-8-14-19(18)22-24-20(16-9-3-1-4-10-16)21(25-22)17-11-5-2-6-12-17/h1-14H,(H,24,25)
InChIKeyQDIMFTZQDKIZFK-UHFFFAOYSA-N
MW321.38 g/mol
LogP5.28
Rot. Bonds3

About 2-(4,5-diphenyl-1H-imidazol-2-yl)benzonitrile

2-(4,5-diphenyl-1H-imidazol-2-yl)benzonitrile (PubChem CID 139214742) has the molecular formula C22H15N3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(4,5-diphenyl-1H-imidazol-2-yl)benzonitrile.

Molecular Properties

Compound Name2-(4,5-diphenyl-1H-imidazol-2-yl)benzonitrile
PubChem CID139214742
Molecular FormulaC22H15N3
Molecular Weight321.38 g/mol
Exact Mass321.13
IUPAC Name2-(4,5-diphenyl-1H-imidazol-2-yl)benzonitrile
SMILESN#Cc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C22H15N3/c23-15-18-13-7-8-14-19(18)22-24-20(16-9-3-1-4-10-16)21(25-22)17-11-5-2-6-12-17/h1-14H,(H,24,25)
InChIKeyQDIMFTZQDKIZFK-UHFFFAOYSA-N
XLogP5.28
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Related Compounds

5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
2-[5-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-2-yl]phenol
CID 887020
2-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid
CID 2538348
4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 135420019
2-phenanthren-9-yl-4,5-diphenyl-1H-imidazole
CID 54520537
2-[2-[3-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-diphenyl-1H-imidazole
CID 71231270
2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole
CID 118411404
2-[4-[2-(2-methylphenyl)ethynyl]phenyl]-4,5-diphenyl-1H-imidazole
CID 177421589
(Z)-3-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-2-phenylprop-2-enenitrile
CID 139205580
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
2-[2-(2,5-dichlorophenyl)phenyl]-4,5-diphenyl-1H-imidazole
CID 58038056

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diphenyl-1H-imidazol-2-yl)benzonitrile?
The IUPAC name of 2-(4,5-diphenyl-1H-imidazol-2-yl)benzonitrile (CID 139214742) is 2-(4,5-diphenyl-1H-imidazol-2-yl)benzonitrile.
What is the SMILES notation for 2-(4,5-diphenyl-1H-imidazol-2-yl)benzonitrile?
The canonical SMILES for 2-(4,5-diphenyl-1H-imidazol-2-yl)benzonitrile is N#Cc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 2-(4,5-diphenyl-1H-imidazol-2-yl)benzonitrile?
The InChIKey is QDIMFTZQDKIZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3/c23-15-18-13-7-8-14-19(18)22-24-20(16-9-3-1-4-10-16)21(25-22)17-11-5-2-6-12-17/h1-14H,(H,24,25).
What are the key properties of 2-(4,5-diphenyl-1H-imidazol-2-yl)benzonitrile?
2-(4,5-diphenyl-1H-imidazol-2-yl)benzonitrile has a molecular weight of 321.38 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diphenyl-1H-imidazol-2-yl)benzonitrile is sourced from PubChem (CID 139214742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).