5-[4-(5-cyclopropyl-1H-pyrrol-3-yl)phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione

C24H20N4O2 — CID 158616602

IUPAC5-[4-(5-cyclopropyl-1H-pyrrol-3-yl)phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)N(c2ccc3c(c2)N=CC3)C1c1ccc(-c2c[nH]c(C3CC3)c2)cc1
InChIInChI=1S/C24H20N4O2/c29-23-22(28(24(30)27-23)19-8-7-16-9-10-25-21(16)12-19)17-5-1-14(2-6-17)18-11-20(26-13-18)15-3-4-15/h1-2,5-8,10-13,15,22,26H,3-4,9H2,(H,27,29,30)
InChIKeyIJRGNMXDYBZIJT-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.61
Rot. Bonds4

About 5-[4-(5-cyclopropyl-1H-pyrrol-3-yl)phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione

5-[4-(5-cyclopropyl-1H-pyrrol-3-yl)phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione (PubChem CID 158616602) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 5-[4-(5-cyclopropyl-1H-pyrrol-3-yl)phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(5-cyclopropyl-1H-pyrrol-3-yl)phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione
PubChem CID158616602
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name5-[4-(5-cyclopropyl-1H-pyrrol-3-yl)phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)N(c2ccc3c(c2)N=CC3)C1c1ccc(-c2c[nH]c(C3CC3)c2)cc1
InChIInChI=1S/C24H20N4O2/c29-23-22(28(24(30)27-23)19-8-7-16-9-10-25-21(16)12-19)17-5-1-14(2-6-17)18-11-20(26-13-18)15-3-4-15/h1-2,5-8,10-13,15,22,26H,3-4,9H2,(H,27,29,30)
InChIKeyIJRGNMXDYBZIJT-UHFFFAOYSA-N
XLogP4.61
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[(1H-indol-3-yl)methyl]imidazolidine-2,4-dione
CID 1550957
5-(1H-Indol-3-ylmethyl)-3-methyl-2,4-imidazolidinedione
CID 194580
(Z)-1-(2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-yl)-3-phenyl-urea
CID 46182735
5-(1h-Indol-3-ylmethyl)imidazolidine-2,4-dione
CID 242867
3-benzyl-5-[(1H-indol-3-yl)methyl]imidazolidine-2,4-dione
CID 15288908
(Z)-1-[2-Oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-yl]-3-(p-tolyl)-urea
CID 49799067
(Z)-1-Biphenyl-4-yl-3-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-yl]urea
CID 49799372
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3980485
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 4566027
5-(1H-indol-3-ylmethyl)-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 3928273
N-[1-{(R)-[(R)-1-Acetylamino-2-(1H-indol-3-yl)-ethyl]-methyl-carbamoyl}-2-(1H-indol-3-yl)-ethyl]-2-methyl-2-methylamino-propionamide
CID 10186158
N-{(R)-1-[(R)-1-Acetylamino-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-1H-indol-3-yl-ethyl}-2-methyl-2-methylamino-propionamide
CID 10207327

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-cyclopropyl-1H-pyrrol-3-yl)phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-[4-(5-cyclopropyl-1H-pyrrol-3-yl)phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione (CID 158616602) is 5-[4-(5-cyclopropyl-1H-pyrrol-3-yl)phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-(5-cyclopropyl-1H-pyrrol-3-yl)phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[4-(5-cyclopropyl-1H-pyrrol-3-yl)phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione is O=C1NC(=O)N(c2ccc3c(c2)N=CC3)C1c1ccc(-c2c[nH]c(C3CC3)c2)cc1.
What is the InChIKey of 5-[4-(5-cyclopropyl-1H-pyrrol-3-yl)phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione?
The InChIKey is IJRGNMXDYBZIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c29-23-22(28(24(30)27-23)19-8-7-16-9-10-25-21(16)12-19)17-5-1-14(2-6-17)18-11-20(26-13-18)15-3-4-15/h1-2,5-8,10-13,15,22,26H,3-4,9H2,(H,27,29,30).
What are the key properties of 5-[4-(5-cyclopropyl-1H-pyrrol-3-yl)phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione?
5-[4-(5-cyclopropyl-1H-pyrrol-3-yl)phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione has a molecular weight of 396.45 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-cyclopropyl-1H-pyrrol-3-yl)phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 158616602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).