2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide

C22H21ClN4O3 — CID 125434004

IUPAC2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
SMILESO=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C22H21ClN4O3/c23-16-6-7-18-17(10-16)15(12-25-18)8-9-24-20(28)11-19-21(29)27(22(30)26-19)13-14-4-2-1-3-5-14/h1-7,10,12,19,25H,8-9,11,13H2,(H,24,28)(H,26,30)/t19-/m0/s1
InChIKeyDRFKOKFJFPKYJF-IBGZPJMESA-N
MW424.89 g/mol
LogP2.99
Rot. Bonds7

About 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide

2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide (PubChem CID 125434004) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
PubChem CID125434004
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC Name2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
SMILESO=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C22H21ClN4O3/c23-16-6-7-18-17(10-16)15(12-25-18)8-9-24-20(28)11-19-21(29)27(22(30)26-19)13-14-4-2-1-3-5-14/h1-7,10,12,19,25H,8-9,11,13H2,(H,24,28)(H,26,30)/t19-/m0/s1
InChIKeyDRFKOKFJFPKYJF-IBGZPJMESA-N
XLogP2.99
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 ≤ 52.99
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-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 124906480
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]-3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanamide
CID 91821318
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
N-benzyl-2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91638714
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 91637918
2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 122169381
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75356728
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119706636
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
CID 119706622
4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521
2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 113209520

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide (CID 125434004) is 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide is O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is DRFKOKFJFPKYJF-IBGZPJMESA-N. The full InChI is InChI=1S/C22H21ClN4O3/c23-16-6-7-18-17(10-16)15(12-25-18)8-9-24-20(28)11-19-21(29)27(22(30)26-19)13-14-4-2-1-3-5-14/h1-7,10,12,19,25H,8-9,11,13H2,(H,24,28)(H,26,30)/t19-/m0/s1.
What are the key properties of 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide?
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 424.89 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 125434004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).