2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-5-yl)acetamide

C22H22N4O3 — CID 99871302

IUPAC2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-5-yl)acetamide
SMILESCn1ccc2cc(NC(=O)C[C@H]3NC(=O)N(CCc4ccccc4)C3=O)ccc21
InChIInChI=1S/C22H22N4O3/c1-25-11-10-16-13-17(7-8-19(16)25)23-20(27)14-18-21(28)26(22(29)24-18)12-9-15-5-3-2-4-6-15/h2-8,10-11,13,18H,9,12,14H2,1H3,(H,23,27)(H,24,29)/t18-/m1/s1
InChIKeyKLCRIFMNNSASSD-GOSISDBHSA-N
MW390.44 g/mol
LogP2.67
Rot. Bonds6

About 2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-5-yl)acetamide

2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-5-yl)acetamide (PubChem CID 99871302) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-5-yl)acetamide
PubChem CID99871302
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-5-yl)acetamide
SMILESCn1ccc2cc(NC(=O)C[C@H]3NC(=O)N(CCc4ccccc4)C3=O)ccc21
InChIInChI=1S/C22H22N4O3/c1-25-11-10-16-13-17(7-8-19(16)25)23-20(27)14-18-21(28)26(22(29)24-18)12-9-15-5-3-2-4-6-15/h2-8,10-11,13,18H,9,12,14H2,1H3,(H,23,27)(H,24,29)/t18-/m1/s1
InChIKeyKLCRIFMNNSASSD-GOSISDBHSA-N
XLogP2.67
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-6-yl)acetamide
CID 99871318
2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 75531974
N-(1-methylindol-5-yl)-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 71701889
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1-methylimidazole-2-carbonyl)phenyl]acetamide
CID 75490431
propan-2-yl 4-[[2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 75357012
propan-2-yl 4-[[2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 71825448
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide
CID 124860705
2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)acetamide
CID 75531634
2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylindol-4-yl)acetamide
CID 71826817
N-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide
CID 118985887
N-(1H-indol-6-yl)-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75531649
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
CID 91639594

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-5-yl)acetamide?
The IUPAC name of 2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-5-yl)acetamide (CID 99871302) is 2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-5-yl)acetamide.
What is the SMILES notation for 2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-5-yl)acetamide?
The canonical SMILES for 2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-5-yl)acetamide is Cn1ccc2cc(NC(=O)C[C@H]3NC(=O)N(CCc4ccccc4)C3=O)ccc21.
What is the InChIKey of 2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-5-yl)acetamide?
The InChIKey is KLCRIFMNNSASSD-GOSISDBHSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-25-11-10-16-13-17(7-8-19(16)25)23-20(27)14-18-21(28)26(22(29)24-18)12-9-15-5-3-2-4-6-15/h2-8,10-11,13,18H,9,12,14H2,1H3,(H,23,27)(H,24,29)/t18-/m1/s1.
What are the key properties of 2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-5-yl)acetamide?
2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-5-yl)acetamide has a molecular weight of 390.44 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-5-yl)acetamide is sourced from PubChem (CID 99871302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).