1-(3,5-dimethylphenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one

C16H20N4O — CID 10779428

IUPAC1-(3,5-dimethylphenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
SMILESCc1cc(C)cc(N2CCN(Cc3nc[nH]c3C)C2=O)c1
InChIInChI=1S/C16H20N4O/c1-11-6-12(2)8-14(7-11)20-5-4-19(16(20)21)9-15-13(3)17-10-18-15/h6-8,10H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyHLJSVGDJUCSCTA-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.78
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one

1-(3,5-dimethylphenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one (PubChem CID 10779428) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
PubChem CID10779428
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-(3,5-dimethylphenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
SMILESCc1cc(C)cc(N2CCN(Cc3nc[nH]c3C)C2=O)c1
InChIInChI=1S/C16H20N4O/c1-11-6-12(2)8-14(7-11)20-5-4-19(16(20)21)9-15-13(3)17-10-18-15/h6-8,10H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyHLJSVGDJUCSCTA-UHFFFAOYSA-N
XLogP2.78
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one (CID 10779428) is 1-(3,5-dimethylphenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one is Cc1cc(C)cc(N2CCN(Cc3nc[nH]c3C)C2=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one?
The InChIKey is HLJSVGDJUCSCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-6-12(2)8-14(7-11)20-5-4-19(16(20)21)9-15-13(3)17-10-18-15/h6-8,10H,4-5,9H2,1-3H3,(H,17,18).
What are the key properties of 1-(3,5-dimethylphenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one?
1-(3,5-dimethylphenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one has a molecular weight of 284.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one is sourced from PubChem (CID 10779428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).