1-(4-aminophenyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one

C13H14N4O — CID 116979248

IUPAC1-(4-aminophenyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one
SMILESNc1ccc(N2CC(c3ccc[nH]3)NC2=O)cc1
InChIInChI=1S/C13H14N4O/c14-9-3-5-10(6-4-9)17-8-12(16-13(17)18)11-2-1-7-15-11/h1-7,12,15H,8,14H2,(H,16,18)
InChIKeyJTUFGCKQTXPTLZ-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.87
Rot. Bonds2

About 1-(4-aminophenyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one

1-(4-aminophenyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one (PubChem CID 116979248) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(4-aminophenyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one
PubChem CID116979248
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name1-(4-aminophenyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one
SMILESNc1ccc(N2CC(c3ccc[nH]3)NC2=O)cc1
InChIInChI=1S/C13H14N4O/c14-9-3-5-10(6-4-9)17-8-12(16-13(17)18)11-2-1-7-15-11/h1-7,12,15H,8,14H2,(H,16,18)
InChIKeyJTUFGCKQTXPTLZ-UHFFFAOYSA-N
XLogP1.87
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-4-(2-bromophenyl)imidazolidin-2-one
CID 116979261
(4S)-1,4-diphenylimidazolidin-2-one
CID 163207794
2-[2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]cyclopropane-1-carboxylic acid
CID 116979766
1-piperidin-3-yl-4-(1H-pyrrol-2-yl)imidazolidin-2-one
CID 116979012
(4R)-1-(4-methylsulfonylphenyl)-4-phenylimidazolidin-2-one
CID 163902103
1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one
CID 116979206
(5R)-3-(4-aminophenyl)-5-methyl-1,3-oxazolidin-2-one
CID 59742698
(4S)-1-[(4-aminophenyl)methyl]-4-phenylimidazolidin-2-one
CID 142669131
(4S)-4-(4-aminophenyl)azetidin-2-one
CID 142449189
1-[4-(methylamino)phenyl]-4-pyridin-4-ylimidazolidin-2-one
CID 116979275
1-(4-aminophenyl)-3-methyl-4-phenylimidazolidin-2-one
CID 116981888
1-(4-aminophenyl)-4-sulfanylpyrrolidin-2-one
CID 168709982

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one?
The IUPAC name of 1-(4-aminophenyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one (CID 116979248) is 1-(4-aminophenyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(4-aminophenyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one?
The canonical SMILES for 1-(4-aminophenyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one is Nc1ccc(N2CC(c3ccc[nH]3)NC2=O)cc1.
What is the InChIKey of 1-(4-aminophenyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one?
The InChIKey is JTUFGCKQTXPTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c14-9-3-5-10(6-4-9)17-8-12(16-13(17)18)11-2-1-7-15-11/h1-7,12,15H,8,14H2,(H,16,18).
What are the key properties of 1-(4-aminophenyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one?
1-(4-aminophenyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one has a molecular weight of 242.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one is sourced from PubChem (CID 116979248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).