2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-ynylacetamide

C15H14BrN3O3 — CID 43032745

IUPAC2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN1C(=O)NC(C)(c2cccc(Br)c2)C1=O
InChIInChI=1S/C15H14BrN3O3/c1-3-7-17-12(20)9-19-13(21)15(2,18-14(19)22)10-5-4-6-11(16)8-10/h1,4-6,8H,7,9H2,2H3,(H,17,20)(H,18,22)
InChIKeyDVYLUMGEQJFURG-UHFFFAOYSA-N
MW364.20 g/mol
LogP0.97
Rot. Bonds4

About 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-ynylacetamide

2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-ynylacetamide (PubChem CID 43032745) has the molecular formula C15H14BrN3O3 and a molecular weight of 364.20 g/mol. Its IUPAC name is 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-ynylacetamide
PubChem CID43032745
Molecular FormulaC15H14BrN3O3
Molecular Weight364.20 g/mol
Exact Mass363.02
IUPAC Name2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN1C(=O)NC(C)(c2cccc(Br)c2)C1=O
InChIInChI=1S/C15H14BrN3O3/c1-3-7-17-12(20)9-19-13(21)15(2,18-14(19)22)10-5-4-6-11(16)8-10/h1,4-6,8H,7,9H2,2H3,(H,17,20)(H,18,22)
InChIKeyDVYLUMGEQJFURG-UHFFFAOYSA-N
XLogP0.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-ynylacetamide
CID 42891284
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide
CID 2711011
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 25323209
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 2701996
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 2702070
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2711003
N-benzhydryl-2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2081712
N-benzhydryl-2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2081711
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7177945
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexylacetamide
CID 2081705
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-cyanophenyl)acetamide
CID 2702037
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 4800196

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-ynylacetamide (CID 43032745) is 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-ynylacetamide is C#CCNC(=O)CN1C(=O)NC(C)(c2cccc(Br)c2)C1=O.
What is the InChIKey of 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-ynylacetamide?
The InChIKey is DVYLUMGEQJFURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O3/c1-3-7-17-12(20)9-19-13(21)15(2,18-14(19)22)10-5-4-6-11(16)8-10/h1,4-6,8H,7,9H2,2H3,(H,17,20)(H,18,22).
What are the key properties of 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-ynylacetamide?
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-ynylacetamide has a molecular weight of 364.20 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-ynylacetamide is sourced from PubChem (CID 43032745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).