4-[(Z)-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)iminomethyl]-1,5-dimethylpyrrole-2-carbonitrile

C23H19N5O2 — CID 9349588

IUPAC4-[(Z)-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)iminomethyl]-1,5-dimethylpyrrole-2-carbonitrile
SMILESCc1c(/C=N\N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc(C#N)n1C
InChIInChI=1S/C23H19N5O2/c1-16-17(13-20(14-24)27(16)2)15-25-28-21(29)23(26-22(28)30,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-13,15H,1-2H3,(H,26,30)/b25-15-
InChIKeyQXCDDGQOAJAWLU-MYYYXRDXSA-N
MW397.44 g/mol
LogP3.03
Rot. Bonds4

About 4-[(Z)-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)iminomethyl]-1,5-dimethylpyrrole-2-carbonitrile

4-[(Z)-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)iminomethyl]-1,5-dimethylpyrrole-2-carbonitrile (PubChem CID 9349588) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 4-[(Z)-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)iminomethyl]-1,5-dimethylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-[(Z)-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)iminomethyl]-1,5-dimethylpyrrole-2-carbonitrile
PubChem CID9349588
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name4-[(Z)-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)iminomethyl]-1,5-dimethylpyrrole-2-carbonitrile
SMILESCc1c(/C=N\N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc(C#N)n1C
InChIInChI=1S/C23H19N5O2/c1-16-17(13-20(14-24)27(16)2)15-25-28-21(29)23(26-22(28)30,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-13,15H,1-2H3,(H,26,30)/b25-15-
InChIKeyQXCDDGQOAJAWLU-MYYYXRDXSA-N
XLogP3.03
TPSA90.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,5-dimethyl-4-[(Z)-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]iminomethyl]pyrrole-2-carbonitrile
CID 9349930
3-[(E)-(2-hydroxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione
CID 135788061
3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione
CID 9349596
1,5-dimethyl-4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]pyrrole-2-carbonitrile
CID 9074428
3-[(E)-[4-(dimethylamino)-3-fluorophenyl]methylideneamino]-5,5-diphenylimidazolidine-2,4-dione
CID 166187584
4-[(2Z)-2-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylidene]hydrazinyl]benzoic acid
CID 9013325
4-[(Z)-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 8900417
2-[(E)-(1,2,5-trimethylpyrrol-3-yl)methylideneamino]isoindole-1,3-dione
CID 5349189
1,5-dimethyl-4-[(Z)-[3-(naphthalen-1-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]pyrrole-2-carbonitrile
CID 9174410
(5R)-5-ethyl-5-phenyl-3-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]imidazolidine-2,4-dione
CID 9296728
1-[(Z)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-3-methylthiourea
CID 9072034
(5S)-3-[(Z)-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9297366

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)iminomethyl]-1,5-dimethylpyrrole-2-carbonitrile?
The IUPAC name of 4-[(Z)-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)iminomethyl]-1,5-dimethylpyrrole-2-carbonitrile (CID 9349588) is 4-[(Z)-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)iminomethyl]-1,5-dimethylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-[(Z)-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)iminomethyl]-1,5-dimethylpyrrole-2-carbonitrile?
The canonical SMILES for 4-[(Z)-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)iminomethyl]-1,5-dimethylpyrrole-2-carbonitrile is Cc1c(/C=N\N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc(C#N)n1C.
What is the InChIKey of 4-[(Z)-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)iminomethyl]-1,5-dimethylpyrrole-2-carbonitrile?
The InChIKey is QXCDDGQOAJAWLU-MYYYXRDXSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-16-17(13-20(14-24)27(16)2)15-25-28-21(29)23(26-22(28)30,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-13,15H,1-2H3,(H,26,30)/b25-15-.
What are the key properties of 4-[(Z)-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)iminomethyl]-1,5-dimethylpyrrole-2-carbonitrile?
4-[(Z)-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)iminomethyl]-1,5-dimethylpyrrole-2-carbonitrile has a molecular weight of 397.44 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)iminomethyl]-1,5-dimethylpyrrole-2-carbonitrile is sourced from PubChem (CID 9349588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).