2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)benzonitrile

C11H10N4O — CID 107937146

IUPAC2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)benzonitrile
SMILESCN1C(=O)N=C(N)C1c1ccccc1C#N
InChIInChI=1S/C11H10N4O/c1-15-9(10(13)14-11(15)16)8-5-3-2-4-7(8)6-12/h2-5,9H,1H3,(H2,13,14,16)
InChIKeyCHDQFUMQOWWSSY-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.02
Rot. Bonds1

About 2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)benzonitrile

2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)benzonitrile (PubChem CID 107937146) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)benzonitrile.

Molecular Properties

Compound Name2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)benzonitrile
PubChem CID107937146
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)benzonitrile
SMILESCN1C(=O)N=C(N)C1c1ccccc1C#N
InChIInChI=1S/C11H10N4O/c1-15-9(10(13)14-11(15)16)8-5-3-2-4-7(8)6-12/h2-5,9H,1H3,(H2,13,14,16)
InChIKeyCHDQFUMQOWWSSY-UHFFFAOYSA-N
XLogP1.02
TPSA82.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-2-oxo-3-prop-2-ynyl-4H-imidazol-4-yl)benzonitrile
CID 114018084
5-amino-4-(4-fluorophenyl)-3-methyl-4H-imidazol-2-one
CID 79960327
5-amino-4-naphthalen-1-yl-3-propyl-4H-imidazol-2-one
CID 79960476
5-amino-3-ethyl-4-(2-ethylphenyl)-4H-imidazol-2-one
CID 79967176
5-amino-3-ethyl-4-(2-fluorophenyl)-4H-imidazol-2-one
CID 79961456
3-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)benzonitrile
CID 79961947
3-(2-cyanophenyl)-4-methyl-5-oxomorpholine-2-carboxylic acid
CID 114018048
2-(3-amino-1-tert-butyl-7-oxoazepan-2-yl)benzonitrile
CID 107936957
5-amino-3-but-3-yn-2-yl-4-(2-methoxyphenyl)-4H-imidazol-2-one
CID 114420923
6-amino-5-fluoro-4-hydroxy-3-methyl-4,5-dihydropyrimidin-2-one
CID 14056737
5-amino-3-cyclopropyl-4-(3-methylphenyl)-4H-imidazol-2-one
CID 79961022
5-amino-3-but-3-yn-2-yl-4-[2-(difluoromethoxy)phenyl]-4H-imidazol-2-one
CID 114420658

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)benzonitrile?
The IUPAC name of 2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)benzonitrile (CID 107937146) is 2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)benzonitrile.
What is the SMILES notation for 2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)benzonitrile?
The canonical SMILES for 2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)benzonitrile is CN1C(=O)N=C(N)C1c1ccccc1C#N.
What is the InChIKey of 2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)benzonitrile?
The InChIKey is CHDQFUMQOWWSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-15-9(10(13)14-11(15)16)8-5-3-2-4-7(8)6-12/h2-5,9H,1H3,(H2,13,14,16).
What are the key properties of 2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)benzonitrile?
2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)benzonitrile has a molecular weight of 214.23 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methyl-2-oxo-4H-imidazol-4-yl)benzonitrile is sourced from PubChem (CID 107937146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).