2-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]indolizine-1-carbonitrile

C21H18N4O2 — CID 16624144

IUPAC2-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]indolizine-1-carbonitrile
SMILESCc1ccc(C2(C)NC(=O)N(Cc3cn4ccccc4c3C#N)C2=O)cc1
InChIInChI=1S/C21H18N4O2/c1-14-6-8-16(9-7-14)21(2)19(26)25(20(27)23-21)13-15-12-24-10-4-3-5-18(24)17(15)11-22/h3-10,12H,13H2,1-2H3,(H,23,27)
InChIKeyNKWUUXNFNQDWMI-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.09
Rot. Bonds3

About 2-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]indolizine-1-carbonitrile

2-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]indolizine-1-carbonitrile (PubChem CID 16624144) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]indolizine-1-carbonitrile
PubChem CID16624144
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name2-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]indolizine-1-carbonitrile
SMILESCc1ccc(C2(C)NC(=O)N(Cc3cn4ccccc4c3C#N)C2=O)cc1
InChIInChI=1S/C21H18N4O2/c1-14-6-8-16(9-7-14)21(2)19(26)25(20(27)23-21)13-15-12-24-10-4-3-5-18(24)17(15)11-22/h3-10,12H,13H2,1-2H3,(H,23,27)
InChIKeyNKWUUXNFNQDWMI-UHFFFAOYSA-N
XLogP3.09
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]indolizine-1-carbonitrile
CID 16624154
2-[[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]indolizine-1-carbonitrile
CID 16624142
2-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]indolizine-1-carbonitrile
CID 95309776
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 5010389
2-[(2,5-dioxopyrrolidin-1-yl)methyl]indolizine-1-carbonitrile
CID 75402499
4-[(4R)-1-[(2-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 8762131
(5R)-3-[(4-chlorophenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2092267
3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 4084225
3-[(4-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 16577297
(5S)-5-(4-chlorophenyl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 2577203
2-[[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]indolizine-1-carbonitrile
CID 16624074

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]indolizine-1-carbonitrile (CID 16624144) is 2-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]indolizine-1-carbonitrile is Cc1ccc(C2(C)NC(=O)N(Cc3cn4ccccc4c3C#N)C2=O)cc1.
What is the InChIKey of 2-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]indolizine-1-carbonitrile?
The InChIKey is NKWUUXNFNQDWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-6-8-16(9-7-14)21(2)19(26)25(20(27)23-21)13-15-12-24-10-4-3-5-18(24)17(15)11-22/h3-10,12H,13H2,1-2H3,(H,23,27).
What are the key properties of 2-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]indolizine-1-carbonitrile?
2-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]indolizine-1-carbonitrile has a molecular weight of 358.40 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]indolizine-1-carbonitrile is sourced from PubChem (CID 16624144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).