1-[2-[[3-[2-[[4-[(E)-4-hydroxy-3-oxobut-1-enyl]phenyl]methylamino]ethyl]-1H-indol-5-yl]oxy]ethyl]imidazolidin-2-one

C26H30N4O4 — CID 157485412

IUPAC1-[2-[[3-[2-[[4-[(E)-4-hydroxy-3-oxobut-1-enyl]phenyl]methylamino]ethyl]-1H-indol-5-yl]oxy]ethyl]imidazolidin-2-one
SMILESO=C(/C=C/c1ccc(CNCCc2c[nH]c3ccc(OCCN4CCNC4=O)cc23)cc1)CO
InChIInChI=1S/C26H30N4O4/c31-18-22(32)6-5-19-1-3-20(4-2-19)16-27-10-9-21-17-29-25-8-7-23(15-24(21)25)34-14-13-30-12-11-28-26(30)33/h1-8,15,17,27,29,31H,9-14,16,18H2,(H,28,33)/b6-5+
InChIKeyBWQROKFGQLVCRZ-AATRIKPKSA-N
MW462.55 g/mol
LogP2.48
Rot. Bonds12

About 1-[2-[[3-[2-[[4-[(E)-4-hydroxy-3-oxobut-1-enyl]phenyl]methylamino]ethyl]-1H-indol-5-yl]oxy]ethyl]imidazolidin-2-one

1-[2-[[3-[2-[[4-[(E)-4-hydroxy-3-oxobut-1-enyl]phenyl]methylamino]ethyl]-1H-indol-5-yl]oxy]ethyl]imidazolidin-2-one (PubChem CID 157485412) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 1-[2-[[3-[2-[[4-[(E)-4-hydroxy-3-oxobut-1-enyl]phenyl]methylamino]ethyl]-1H-indol-5-yl]oxy]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[3-[2-[[4-[(E)-4-hydroxy-3-oxobut-1-enyl]phenyl]methylamino]ethyl]-1H-indol-5-yl]oxy]ethyl]imidazolidin-2-one
PubChem CID157485412
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name1-[2-[[3-[2-[[4-[(E)-4-hydroxy-3-oxobut-1-enyl]phenyl]methylamino]ethyl]-1H-indol-5-yl]oxy]ethyl]imidazolidin-2-one
SMILESO=C(/C=C/c1ccc(CNCCc2c[nH]c3ccc(OCCN4CCNC4=O)cc23)cc1)CO
InChIInChI=1S/C26H30N4O4/c31-18-22(32)6-5-19-1-3-20(4-2-19)16-27-10-9-21-17-29-25-8-7-23(15-24(21)25)34-14-13-30-12-11-28-26(30)33/h1-8,15,17,27,29,31H,9-14,16,18H2,(H,28,33)/b6-5+
InChIKeyBWQROKFGQLVCRZ-AATRIKPKSA-N
XLogP2.48
TPSA106.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-[[3-[2-[[4-[(E)-4-hydroxy-3-oxobut-1-enyl]phenyl]methylamino]ethyl]-1H-indol-5-yl]oxy]ethyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-hydroxy-4-[4-[[2-[5-[(4-methyl-3-nitrophenyl)methoxy]-1H-indol-3-yl]ethylamino]methyl]phenyl]but-3-en-2-one
CID 161162416
(E)-N-hydroxy-3-[4-[[2-[5-(3-methylbut-2-enoxy)-1H-indol-3-yl]ethylamino]methyl]phenyl]prop-2-enamide
CID 20579407
N-[(3E)-4-[4-[(but-3-enylamino)methyl]phenyl]buta-1,3-dien-2-yl]hydroxylamine;ethane;1-[2-(3-methylphenoxy)ethyl]imidazolidin-2-one
CID 142124170
(E)-N-hydroxy-3-[4-[[2-[5-[(4-methyl-3-nitrophenyl)methoxy]-1H-indol-3-yl]ethylamino]methyl]phenyl]prop-2-enamide
CID 20579410
3-(4-hydroxyphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]prop-2-enamide
CID 20979893
2-(5-methoxy-1H-indol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 21071638
(E)-3-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enal
CID 89259735
1,3-bis[2-methyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]phenyl]urea
CID 167826131
[3-(2-acetamidoethyl)-1H-indol-5-yl] (E)-3-phenylprop-2-enoate
CID 121289344
2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 17053042
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 131889099
2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine
CID 98783922

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-[2-[[4-[(E)-4-hydroxy-3-oxobut-1-enyl]phenyl]methylamino]ethyl]-1H-indol-5-yl]oxy]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[3-[2-[[4-[(E)-4-hydroxy-3-oxobut-1-enyl]phenyl]methylamino]ethyl]-1H-indol-5-yl]oxy]ethyl]imidazolidin-2-one (CID 157485412) is 1-[2-[[3-[2-[[4-[(E)-4-hydroxy-3-oxobut-1-enyl]phenyl]methylamino]ethyl]-1H-indol-5-yl]oxy]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[3-[2-[[4-[(E)-4-hydroxy-3-oxobut-1-enyl]phenyl]methylamino]ethyl]-1H-indol-5-yl]oxy]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[3-[2-[[4-[(E)-4-hydroxy-3-oxobut-1-enyl]phenyl]methylamino]ethyl]-1H-indol-5-yl]oxy]ethyl]imidazolidin-2-one is O=C(/C=C/c1ccc(CNCCc2c[nH]c3ccc(OCCN4CCNC4=O)cc23)cc1)CO.
What is the InChIKey of 1-[2-[[3-[2-[[4-[(E)-4-hydroxy-3-oxobut-1-enyl]phenyl]methylamino]ethyl]-1H-indol-5-yl]oxy]ethyl]imidazolidin-2-one?
The InChIKey is BWQROKFGQLVCRZ-AATRIKPKSA-N. The full InChI is InChI=1S/C26H30N4O4/c31-18-22(32)6-5-19-1-3-20(4-2-19)16-27-10-9-21-17-29-25-8-7-23(15-24(21)25)34-14-13-30-12-11-28-26(30)33/h1-8,15,17,27,29,31H,9-14,16,18H2,(H,28,33)/b6-5+.
What are the key properties of 1-[2-[[3-[2-[[4-[(E)-4-hydroxy-3-oxobut-1-enyl]phenyl]methylamino]ethyl]-1H-indol-5-yl]oxy]ethyl]imidazolidin-2-one?
1-[2-[[3-[2-[[4-[(E)-4-hydroxy-3-oxobut-1-enyl]phenyl]methylamino]ethyl]-1H-indol-5-yl]oxy]ethyl]imidazolidin-2-one has a molecular weight of 462.55 g/mol, XLogP of 2.48, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-[2-[[4-[(E)-4-hydroxy-3-oxobut-1-enyl]phenyl]methylamino]ethyl]-1H-indol-5-yl]oxy]ethyl]imidazolidin-2-one is sourced from PubChem (CID 157485412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).