2-[(4S)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C19H22N4O4 — CID 75489265

IUPAC2-[(4S)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCOc1ccccc1CN1C(=O)N[C@@H](CC(=O)NCc2cccn2C)C1=O
InChIInChI=1S/C19H22N4O4/c1-22-9-5-7-14(22)11-20-17(24)10-15-18(25)23(19(26)21-15)12-13-6-3-4-8-16(13)27-2/h3-9,15H,10-12H2,1-2H3,(H,20,24)(H,21,26)/t15-/m0/s1
InChIKeySQJORROZETULMU-HNNXBMFYSA-N
MW370.41 g/mol
LogP1.16
Rot. Bonds7

About 2-[(4S)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[(4S)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 75489265) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[(4S)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID75489265
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-[(4S)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCOc1ccccc1CN1C(=O)N[C@@H](CC(=O)NCc2cccn2C)C1=O
InChIInChI=1S/C19H22N4O4/c1-22-9-5-7-14(22)11-20-17(24)10-15-18(25)23(19(26)21-15)12-13-6-3-4-8-16(13)27-2/h3-9,15H,10-12H2,1-2H3,(H,20,24)(H,21,26)/t15-/m0/s1
InChIKeySQJORROZETULMU-HNNXBMFYSA-N
XLogP1.16
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 125296367
2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 99870686
2-[1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-pyridin-2-ylacetamide
CID 75531804
N-[2-(1H-imidazol-5-yl)ethyl]-2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 99871290
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide
CID 124861231
N-[2-(dimethylamino)ethyl]-2-[(4S)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75490917
N-benzyl-2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 110210252
(5R)-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-[(2-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 124863296
(5S)-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-[(2-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 91636915
3-[(2-methoxyphenyl)methyl]-5-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione
CID 91823594
2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 99871043
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75356728

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of 2-[(4S)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 75489265) is 2-[(4S)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4S)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(4S)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is COc1ccccc1CN1C(=O)N[C@@H](CC(=O)NCc2cccn2C)C1=O.
What is the InChIKey of 2-[(4S)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is SQJORROZETULMU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-22-9-5-7-14(22)11-20-17(24)10-15-18(25)23(19(26)21-15)12-13-6-3-4-8-16(13)27-2/h3-9,15H,10-12H2,1-2H3,(H,20,24)(H,21,26)/t15-/m0/s1.
What are the key properties of 2-[(4S)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
2-[(4S)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 370.41 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 75489265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).