3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-imidazol-2-yl)propanamide

C11H15N5O3 — CID 63563497

IUPAC3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-imidazol-2-yl)propanamide
SMILESCC1(C)NC(=O)N(CCC(=O)Nc2ncc[nH]2)C1=O
InChIInChI=1S/C11H15N5O3/c1-11(2)8(18)16(10(19)15-11)6-3-7(17)14-9-12-4-5-13-9/h4-5H,3,6H2,1-2H3,(H,15,19)(H2,12,13,14,17)
InChIKeyCXFIHUXIHIEWSZ-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.07
Rot. Bonds4

About 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-imidazol-2-yl)propanamide

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-imidazol-2-yl)propanamide (PubChem CID 63563497) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-imidazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-imidazol-2-yl)propanamide
PubChem CID63563497
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-imidazol-2-yl)propanamide
SMILESCC1(C)NC(=O)N(CCC(=O)Nc2ncc[nH]2)C1=O
InChIInChI=1S/C11H15N5O3/c1-11(2)8(18)16(10(19)15-11)6-3-7(17)14-9-12-4-5-13-9/h4-5H,3,6H2,1-2H3,(H,15,19)(H2,12,13,14,17)
InChIKeyCXFIHUXIHIEWSZ-UHFFFAOYSA-N
XLogP0.07
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-(1H-imidazol-2-yl)propanamide
CID 71827835
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
CID 60656567
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385438
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]propanamide
CID 9213385
(2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid
CID 93263187
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 62517031
5-bromo-N-(1H-imidazol-2-yl)pentanamide
CID 107910080
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxycyclohexyl)propanamide
CID 62367006
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 40795155
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
CID 78788881
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-6-ylbutanamide
CID 78887675
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-7-ylbutanamide
CID 166280199

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-imidazol-2-yl)propanamide?
The IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-imidazol-2-yl)propanamide (CID 63563497) is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-imidazol-2-yl)propanamide.
What is the SMILES notation for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-imidazol-2-yl)propanamide?
The canonical SMILES for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-imidazol-2-yl)propanamide is CC1(C)NC(=O)N(CCC(=O)Nc2ncc[nH]2)C1=O.
What is the InChIKey of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-imidazol-2-yl)propanamide?
The InChIKey is CXFIHUXIHIEWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-11(2)8(18)16(10(19)15-11)6-3-7(17)14-9-12-4-5-13-9/h4-5H,3,6H2,1-2H3,(H,15,19)(H2,12,13,14,17).
What are the key properties of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-imidazol-2-yl)propanamide?
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-imidazol-2-yl)propanamide has a molecular weight of 265.27 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-imidazol-2-yl)propanamide is sourced from PubChem (CID 63563497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).