N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanamide

C22H21ClN4O3 — CID 91821318

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanamide
SMILESO=C(CCC1NC(=O)N(c2ccccc2)C1=O)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C22H21ClN4O3/c23-15-6-7-18-17(12-15)14(13-25-18)10-11-24-20(28)9-8-19-21(29)27(22(30)26-19)16-4-2-1-3-5-16/h1-7,12-13,19,25H,8-11H2,(H,24,28)(H,26,30)
InChIKeyLQPTZFZQEPRWHE-UHFFFAOYSA-N
MW424.89 g/mol
LogP3.39
Rot. Bonds7

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanamide (PubChem CID 91821318) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanamide
PubChem CID91821318
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanamide
SMILESO=C(CCC1NC(=O)N(c2ccccc2)C1=O)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C22H21ClN4O3/c23-15-6-7-18-17(12-15)14(13-25-18)10-11-24-20(28)9-8-19-21(29)27(22(30)26-19)16-4-2-1-3-5-16/h1-7,12-13,19,25H,8-11H2,(H,24,28)(H,26,30)
InChIKeyLQPTZFZQEPRWHE-UHFFFAOYSA-N
XLogP3.39
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
CID 125434004
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
3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 75357106
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-phenylpyrrolidine-3-carboxamide
CID 66832116
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 124607872
2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]acetic acid
CID 119350473
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 70723639
3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide
CID 51842013
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
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-indol-1-ylpropanamide
CID 71709006
3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide
CID 110204659
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 4974066

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanamide (CID 91821318) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanamide is O=C(CCC1NC(=O)N(c2ccccc2)C1=O)NCCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanamide?
The InChIKey is LQPTZFZQEPRWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3/c23-15-6-7-18-17(12-15)14(13-25-18)10-11-24-20(28)9-8-19-21(29)27(22(30)26-19)16-4-2-1-3-5-16/h1-7,12-13,19,25H,8-11H2,(H,24,28)(H,26,30).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanamide has a molecular weight of 424.89 g/mol, XLogP of 3.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanamide is sourced from PubChem (CID 91821318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).