N-(1,3-benzodioxol-5-yl)-3-[(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide

C23H21ClN4O5 — CID 51837234

IUPACN-(1,3-benzodioxol-5-yl)-3-[(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESO=C(CC[C@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C23H21ClN4O5/c24-14-1-3-17-16(9-14)13(11-25-17)7-8-28-22(30)18(27-23(28)31)4-6-21(29)26-15-2-5-19-20(10-15)33-12-32-19/h1-3,5,9-11,18,25H,4,6-8,12H2,(H,26,29)(H,27,31)/t18-/m1/s1
InChIKeyZTLDEXWJDPPMOJ-GOSISDBHSA-N
MW468.90 g/mol
LogP3.43
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-3-[(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide

N-(1,3-benzodioxol-5-yl)-3-[(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 51837234) has the molecular formula C23H21ClN4O5 and a molecular weight of 468.90 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID51837234
Molecular FormulaC23H21ClN4O5
Molecular Weight468.90 g/mol
Exact Mass468.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESO=C(CC[C@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C23H21ClN4O5/c24-14-1-3-17-16(9-14)13(11-25-17)7-8-28-22(30)18(27-23(28)31)4-6-21(29)26-15-2-5-19-20(10-15)33-12-32-19/h1-3,5,9-11,18,25H,4,6-8,12H2,(H,26,29)(H,27,31)/t18-/m1/s1
InChIKeyZTLDEXWJDPPMOJ-GOSISDBHSA-N
XLogP3.43
TPSA112.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.90
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1,3-benzodioxol-5-yl)-3-[(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide 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

3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]propanamide
CID 29134314
5-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(5-chloro-1H-indol-3-yl)ethyl]imidazolidine-2,4-dione
CID 73259625
N-(1,3-benzodioxol-5-yl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2484748
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanamide
CID 91821318
3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 51833583
3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylpropanamide
CID 51842365
3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-hydroxyphenyl)propanamide
CID 51837544
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51829737
3-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(3-chlorophenyl)methyl]propanamide
CID 73257738
N-(3-acetylphenyl)-3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 99870911
N-heptyl-3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 98399429
3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide
CID 51842013

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide (CID 51837234) is N-(1,3-benzodioxol-5-yl)-3-[(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide is O=C(CC[C@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is ZTLDEXWJDPPMOJ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H21ClN4O5/c24-14-1-3-17-16(9-14)13(11-25-17)7-8-28-22(30)18(27-23(28)31)4-6-21(29)26-15-2-5-19-20(10-15)33-12-32-19/h1-3,5,9-11,18,25H,4,6-8,12H2,(H,26,29)(H,27,31)/t18-/m1/s1.
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
N-(1,3-benzodioxol-5-yl)-3-[(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 468.90 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-[(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 51837234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).