3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)benzonitrile

C17H14N4O — CID 70685235

IUPAC3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)benzonitrile
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(C#N)c2)N=C1N
InChIInChI=1S/C17H14N4O/c1-21-15(22)17(20-16(21)19,13-7-3-2-4-8-13)14-9-5-6-12(10-14)11-18/h2-10H,1H3,(H2,19,20)
InChIKeyOYLIDUDLEDFVAK-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.59
Rot. Bonds2

About 3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)benzonitrile

3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)benzonitrile (PubChem CID 70685235) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)benzonitrile.

Molecular Properties

Compound Name3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)benzonitrile
PubChem CID70685235
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)benzonitrile
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(C#N)c2)N=C1N
InChIInChI=1S/C17H14N4O/c1-21-15(22)17(20-16(21)19,13-7-3-2-4-8-13)14-9-5-6-12(10-14)11-18/h2-10H,1H3,(H2,19,20)
InChIKeyOYLIDUDLEDFVAK-UHFFFAOYSA-N
XLogP1.59
TPSA82.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)benzonitrile?
The IUPAC name of 3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)benzonitrile (CID 70685235) is 3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)benzonitrile.
What is the SMILES notation for 3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)benzonitrile?
The canonical SMILES for 3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)benzonitrile is CN1C(=O)C(c2ccccc2)(c2cccc(C#N)c2)N=C1N.
What is the InChIKey of 3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)benzonitrile?
The InChIKey is OYLIDUDLEDFVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-21-15(22)17(20-16(21)19,13-7-3-2-4-8-13)14-9-5-6-12(10-14)11-18/h2-10H,1H3,(H2,19,20).
What are the key properties of 3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)benzonitrile?
3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)benzonitrile has a molecular weight of 290.33 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)benzonitrile is sourced from PubChem (CID 70685235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).