2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide

C17H19N3O4 — CID 97118509

IUPAC2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
SMILESCc1c(CNC(=O)C[C@H]2C(=O)N(C)C(=O)N2C)oc2ccccc12
InChIInChI=1S/C17H19N3O4/c1-10-11-6-4-5-7-13(11)24-14(10)9-18-15(21)8-12-16(22)20(3)17(23)19(12)2/h4-7,12H,8-9H2,1-3H3,(H,18,21)/t12-/m0/s1
InChIKeyBDMJWACTAPJMSB-LBPRGKRZSA-N
MW329.36 g/mol
LogP1.64
Rot. Bonds4

About 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide

2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide (PubChem CID 97118509) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
PubChem CID97118509
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
SMILESCc1c(CNC(=O)C[C@H]2C(=O)N(C)C(=O)N2C)oc2ccccc12
InChIInChI=1S/C17H19N3O4/c1-10-11-6-4-5-7-13(11)24-14(10)9-18-15(21)8-12-16(22)20(3)17(23)19(12)2/h4-7,12H,8-9H2,1-3H3,(H,18,21)/t12-/m0/s1
InChIKeyBDMJWACTAPJMSB-LBPRGKRZSA-N
XLogP1.64
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 97118508
2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride
CID 119789569
2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 83620719
N-[(1-benzylpyrazol-4-yl)methyl]-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide
CID 97156487
2-(2-methoxyethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride
CID 119789587
N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 91760252
2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 70750681
2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 97134428
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 72907586
N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide;hydrochloride
CID 143612119
N-(1-benzothiophen-5-ylmethyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide
CID 74230305
4-hydroxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119789564

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide?
The IUPAC name of 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide (CID 97118509) is 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide is Cc1c(CNC(=O)C[C@H]2C(=O)N(C)C(=O)N2C)oc2ccccc12.
What is the InChIKey of 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide?
The InChIKey is BDMJWACTAPJMSB-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-10-11-6-4-5-7-13(11)24-14(10)9-18-15(21)8-12-16(22)20(3)17(23)19(12)2/h4-7,12H,8-9H2,1-3H3,(H,18,21)/t12-/m0/s1.
What are the key properties of 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide?
2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide has a molecular weight of 329.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide is sourced from PubChem (CID 97118509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).