3-[3-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)phenyl]benzonitrile

C20H18N4O — CID 11624078

IUPAC3-[3-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)phenyl]benzonitrile
SMILESCN1C(=O)C(c2cccc(-c3cccc(C#N)c3)c2)(C2CC2)N=C1N
InChIInChI=1S/C20H18N4O/c1-24-18(25)20(16-8-9-16,23-19(24)22)17-7-3-6-15(11-17)14-5-2-4-13(10-14)12-21/h2-7,10-11,16H,8-9H2,1H3,(H2,22,23)
InChIKeyRCSWOKAWDNQMMD-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.62
Rot. Bonds3

About 3-[3-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)phenyl]benzonitrile

3-[3-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)phenyl]benzonitrile (PubChem CID 11624078) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-[3-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[3-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)phenyl]benzonitrile
PubChem CID11624078
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name3-[3-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)phenyl]benzonitrile
SMILESCN1C(=O)C(c2cccc(-c3cccc(C#N)c3)c2)(C2CC2)N=C1N
InChIInChI=1S/C20H18N4O/c1-24-18(25)20(16-8-9-16,23-19(24)22)17-7-3-6-15(11-17)14-5-2-4-13(10-14)12-21/h2-7,10-11,16H,8-9H2,1H3,(H2,22,23)
InChIKeyRCSWOKAWDNQMMD-UHFFFAOYSA-N
XLogP2.62
TPSA82.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2e)-2-Imino-3-Methyl-5,5-Diphenylimidazolidin-4-One
CID 15054176
5-Adamantan-1-yl-2-amino-3-methyl-5-phenyl-3,5-dihydro-imidazol-4-one
CID 16050640
2-amino-4-cyclohexyl-1-methyl-4-phenyl-1H-imidazol-5(4H)-one
CID 16050931
2-amino-1-benzyl-4-cyclohexyl-4-phenyl-1H-imidazol-5(4H)-one
CID 16051038
2-amino-4-cyclohexyl-1-hexyl-4-phenyl-1H-imidazol-5(4H)-one
CID 16051040
2-Amino-3-cyclohexyl-5,5-diphenylimidazol-4-one
CID 44530523
2-Amino-3-pentyl-5,5-diphenylimidazol-4-one
CID 44530658
2-Amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one
CID 44530662
3-(2'-Amino-1',6,6-trimethyl-5'-oxospiro[5,7-dihydronaphthalene-8,4'-imidazole]-2-yl)benzonitrile
CID 53493350
2-Amino-5-(2-cyclohexylethyl)-3-methyl-5-phenylimidazol-4-one
CID 57843806
3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzonitrile
CID 59262486
2-Amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one
CID 59262540

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)phenyl]benzonitrile?
The IUPAC name of 3-[3-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)phenyl]benzonitrile (CID 11624078) is 3-[3-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)phenyl]benzonitrile.
What is the SMILES notation for 3-[3-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)phenyl]benzonitrile?
The canonical SMILES for 3-[3-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)phenyl]benzonitrile is CN1C(=O)C(c2cccc(-c3cccc(C#N)c3)c2)(C2CC2)N=C1N.
What is the InChIKey of 3-[3-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)phenyl]benzonitrile?
The InChIKey is RCSWOKAWDNQMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-24-18(25)20(16-8-9-16,23-19(24)22)17-7-3-6-15(11-17)14-5-2-4-13(10-14)12-21/h2-7,10-11,16H,8-9H2,1H3,(H2,22,23).
What are the key properties of 3-[3-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)phenyl]benzonitrile?
3-[3-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)phenyl]benzonitrile has a molecular weight of 330.39 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)phenyl]benzonitrile is sourced from PubChem (CID 11624078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).