2-[[3-[(2-cyanophenyl)methyl]-2-oxo-4,5-di(propan-2-yl)imidazol-1-yl]methyl]benzonitrile

C25H26N4O — CID 67587182

IUPAC2-[[3-[(2-cyanophenyl)methyl]-2-oxo-4,5-di(propan-2-yl)imidazol-1-yl]methyl]benzonitrile
SMILESCC(C)c1c(C(C)C)n(Cc2ccccc2C#N)c(=O)n1Cc1ccccc1C#N
InChIInChI=1S/C25H26N4O/c1-17(2)23-24(18(3)4)29(16-22-12-8-6-10-20(22)14-27)25(30)28(23)15-21-11-7-5-9-19(21)13-26/h5-12,17-18H,15-16H2,1-4H3
InChIKeyHARBTMKWYRWBDC-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.74
Rot. Bonds6

About 2-[[3-[(2-cyanophenyl)methyl]-2-oxo-4,5-di(propan-2-yl)imidazol-1-yl]methyl]benzonitrile

2-[[3-[(2-cyanophenyl)methyl]-2-oxo-4,5-di(propan-2-yl)imidazol-1-yl]methyl]benzonitrile (PubChem CID 67587182) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-[[3-[(2-cyanophenyl)methyl]-2-oxo-4,5-di(propan-2-yl)imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[3-[(2-cyanophenyl)methyl]-2-oxo-4,5-di(propan-2-yl)imidazol-1-yl]methyl]benzonitrile
PubChem CID67587182
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name2-[[3-[(2-cyanophenyl)methyl]-2-oxo-4,5-di(propan-2-yl)imidazol-1-yl]methyl]benzonitrile
SMILESCC(C)c1c(C(C)C)n(Cc2ccccc2C#N)c(=O)n1Cc1ccccc1C#N
InChIInChI=1S/C25H26N4O/c1-17(2)23-24(18(3)4)29(16-22-12-8-6-10-20(22)14-27)25(30)28(23)15-21-11-7-5-9-19(21)13-26/h5-12,17-18H,15-16H2,1-4H3
InChIKeyHARBTMKWYRWBDC-UHFFFAOYSA-N
XLogP4.74
TPSA74.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-cyanophenyl)methyl]-2-oxo-4,5-di(propan-2-yl)imidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[3-[(2-cyanophenyl)methyl]-2-oxo-4,5-di(propan-2-yl)imidazol-1-yl]methyl]benzonitrile (CID 67587182) is 2-[[3-[(2-cyanophenyl)methyl]-2-oxo-4,5-di(propan-2-yl)imidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[3-[(2-cyanophenyl)methyl]-2-oxo-4,5-di(propan-2-yl)imidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[3-[(2-cyanophenyl)methyl]-2-oxo-4,5-di(propan-2-yl)imidazol-1-yl]methyl]benzonitrile is CC(C)c1c(C(C)C)n(Cc2ccccc2C#N)c(=O)n1Cc1ccccc1C#N.
What is the InChIKey of 2-[[3-[(2-cyanophenyl)methyl]-2-oxo-4,5-di(propan-2-yl)imidazol-1-yl]methyl]benzonitrile?
The InChIKey is HARBTMKWYRWBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-17(2)23-24(18(3)4)29(16-22-12-8-6-10-20(22)14-27)25(30)28(23)15-21-11-7-5-9-19(21)13-26/h5-12,17-18H,15-16H2,1-4H3.
What are the key properties of 2-[[3-[(2-cyanophenyl)methyl]-2-oxo-4,5-di(propan-2-yl)imidazol-1-yl]methyl]benzonitrile?
2-[[3-[(2-cyanophenyl)methyl]-2-oxo-4,5-di(propan-2-yl)imidazol-1-yl]methyl]benzonitrile has a molecular weight of 398.51 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-cyanophenyl)methyl]-2-oxo-4,5-di(propan-2-yl)imidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 67587182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).