2-[3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]indol-1-yl]-N-phenylacetamide

C20H16N4O3 — CID 2266112

IUPAC2-[3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]indol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1cc(/C=C2\NC(=O)NC2=O)c2ccccc21)Nc1ccccc1
InChIInChI=1S/C20H16N4O3/c25-18(21-14-6-2-1-3-7-14)12-24-11-13(15-8-4-5-9-17(15)24)10-16-19(26)23-20(27)22-16/h1-11H,12H2,(H,21,25)(H2,22,23,26,27)/b16-10-
InChIKeyFZYWSDJANIYPEW-YBEGLDIGSA-N
MW360.37 g/mol
LogP2.46
Rot. Bonds4

About 2-[3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]indol-1-yl]-N-phenylacetamide

2-[3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]indol-1-yl]-N-phenylacetamide (PubChem CID 2266112) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-[3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]indol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]indol-1-yl]-N-phenylacetamide
PubChem CID2266112
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name2-[3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]indol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1cc(/C=C2\NC(=O)NC2=O)c2ccccc21)Nc1ccccc1
InChIInChI=1S/C20H16N4O3/c25-18(21-14-6-2-1-3-7-14)12-24-11-13(15-8-4-5-9-17(15)24)10-16-19(26)23-20(27)22-16/h1-11H,12H2,(H,21,25)(H2,22,23,26,27)/b16-10-
InChIKeyFZYWSDJANIYPEW-YBEGLDIGSA-N
XLogP2.46
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Macimorelin
CID 9804938
Bisindolylmaleimide VIII
CID 2403
Iron oxide, spent
CID 5327711
Cinnamoyl tryptamine
CID 823206
c[L-Ala-D-pro-L-Phe-D-trp]
CID 44583393
(E)-5-((1-allyl-1H-indol-3-yl)methylene)imidazolidine-2,4-dione
CID 930056
Chondriamide A
CID 6917436
Chondriamide C
CID 10336561
(5S)-5-[(1H-indol-3-yl)methyl]imidazolidine-2,4-dione
CID 1550957
1-Methyl-3-(1-methyl-1H-indol-3-yl)-4-(pentylamino)-1H-pyrrole-2,5-dione
CID 16760577
(Arylindolyl)maleimide deriv. 13
CID 5327655
3-(1-methyl-1H-indol-3-yl)-4-(1-propyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327657

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]indol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]indol-1-yl]-N-phenylacetamide (CID 2266112) is 2-[3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]indol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]indol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]indol-1-yl]-N-phenylacetamide is O=C(Cn1cc(/C=C2\NC(=O)NC2=O)c2ccccc21)Nc1ccccc1.
What is the InChIKey of 2-[3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]indol-1-yl]-N-phenylacetamide?
The InChIKey is FZYWSDJANIYPEW-YBEGLDIGSA-N. The full InChI is InChI=1S/C20H16N4O3/c25-18(21-14-6-2-1-3-7-14)12-24-11-13(15-8-4-5-9-17(15)24)10-16-19(26)23-20(27)22-16/h1-11H,12H2,(H,21,25)(H2,22,23,26,27)/b16-10-.
What are the key properties of 2-[3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]indol-1-yl]-N-phenylacetamide?
2-[3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]indol-1-yl]-N-phenylacetamide has a molecular weight of 360.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]indol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 2266112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).