4-[[2-amino-3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]benzonitrile

C24H20N4 — CID 18779097

IUPAC4-[[2-amino-3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cc2cnc(N)n2Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H20N4/c25-15-19-8-6-18(7-9-19)14-23-16-27-24(26)28(23)17-20-10-12-22(13-11-20)21-4-2-1-3-5-21/h1-13,16H,14,17H2,(H2,26,27)
InChIKeyIBZBLGDDKXYAKA-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.64
Rot. Bonds5

About 4-[[2-amino-3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]benzonitrile

4-[[2-amino-3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]benzonitrile (PubChem CID 18779097) has the molecular formula C24H20N4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[[2-amino-3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-amino-3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]benzonitrile
PubChem CID18779097
Molecular FormulaC24H20N4
Molecular Weight364.45 g/mol
Exact Mass364.17
IUPAC Name4-[[2-amino-3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cc2cnc(N)n2Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H20N4/c25-15-19-8-6-18(7-9-19)14-23-16-27-24(26)28(23)17-20-10-12-22(13-11-20)21-4-2-1-3-5-21/h1-13,16H,14,17H2,(H2,26,27)
InChIKeyIBZBLGDDKXYAKA-UHFFFAOYSA-N
XLogP4.64
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]benzonitrile?
The IUPAC name of 4-[[2-amino-3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]benzonitrile (CID 18779097) is 4-[[2-amino-3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-amino-3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[2-amino-3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]benzonitrile is N#Cc1ccc(Cc2cnc(N)n2Cc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[[2-amino-3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]benzonitrile?
The InChIKey is IBZBLGDDKXYAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4/c25-15-19-8-6-18(7-9-19)14-23-16-27-24(26)28(23)17-20-10-12-22(13-11-20)21-4-2-1-3-5-21/h1-13,16H,14,17H2,(H2,26,27).
What are the key properties of 4-[[2-amino-3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]benzonitrile?
4-[[2-amino-3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]benzonitrile has a molecular weight of 364.45 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]benzonitrile is sourced from PubChem (CID 18779097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).