1-[(1-ethyl-5-methylimidazol-4-yl)methyl]-3-phenylimidazolidin-2-one

C16H20N4O — CID 10565004

IUPAC1-[(1-ethyl-5-methylimidazol-4-yl)methyl]-3-phenylimidazolidin-2-one
SMILESCCn1cnc(CN2CCN(c3ccccc3)C2=O)c1C
InChIInChI=1S/C16H20N4O/c1-3-18-12-17-15(13(18)2)11-19-9-10-20(16(19)21)14-7-5-4-6-8-14/h4-8,12H,3,9-11H2,1-2H3
InChIKeyDXUXVGGJXKCFED-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.65
Rot. Bonds4

About 1-[(1-ethyl-5-methylimidazol-4-yl)methyl]-3-phenylimidazolidin-2-one

1-[(1-ethyl-5-methylimidazol-4-yl)methyl]-3-phenylimidazolidin-2-one (PubChem CID 10565004) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(1-ethyl-5-methylimidazol-4-yl)methyl]-3-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(1-ethyl-5-methylimidazol-4-yl)methyl]-3-phenylimidazolidin-2-one
PubChem CID10565004
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[(1-ethyl-5-methylimidazol-4-yl)methyl]-3-phenylimidazolidin-2-one
SMILESCCn1cnc(CN2CCN(c3ccccc3)C2=O)c1C
InChIInChI=1S/C16H20N4O/c1-3-18-12-17-15(13(18)2)11-19-9-10-20(16(19)21)14-7-5-4-6-8-14/h4-8,12H,3,9-11H2,1-2H3
InChIKeyDXUXVGGJXKCFED-UHFFFAOYSA-N
XLogP2.65
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylphenyl)imidazolidin-2-one
CID 10492280
1-(3-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 10589625
1-(3,5-dimethylphenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 10779428
1-(3-bromophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 10806692
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylimidazolidin-2-one
CID 10563032
1-[(1,5-Dimethylimidazol-4-yl)methyl]-3-phenylimidazolidin-2-one
CID 10612110
1-(1H-imidazol-5-ylmethyl)-3-phenylimidazolidin-2-one
CID 10728865
1-(4-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 10851096
4-imidazol-1-yl-N-methyl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 714180
1-[[1-(2-Dimethylaminoethyl)benzimidazol-2-yl]methyl]-3-isopropenyl-benzimidazol-2-one
CID 15956495
1-[[1-(2-Dimethylaminoethyl)benzimidazol-2-yl]methyl]-3-isopropyl-benzimidazol-2-one
CID 15956496
1-[[1-[3-(Dimethylamino)propyl]benzimidazol-2-yl]methyl]-3-isopropenyl-benzimidazol-2-one
CID 15956498

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-5-methylimidazol-4-yl)methyl]-3-phenylimidazolidin-2-one?
The IUPAC name of 1-[(1-ethyl-5-methylimidazol-4-yl)methyl]-3-phenylimidazolidin-2-one (CID 10565004) is 1-[(1-ethyl-5-methylimidazol-4-yl)methyl]-3-phenylimidazolidin-2-one.
What is the SMILES notation for 1-[(1-ethyl-5-methylimidazol-4-yl)methyl]-3-phenylimidazolidin-2-one?
The canonical SMILES for 1-[(1-ethyl-5-methylimidazol-4-yl)methyl]-3-phenylimidazolidin-2-one is CCn1cnc(CN2CCN(c3ccccc3)C2=O)c1C.
What is the InChIKey of 1-[(1-ethyl-5-methylimidazol-4-yl)methyl]-3-phenylimidazolidin-2-one?
The InChIKey is DXUXVGGJXKCFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-18-12-17-15(13(18)2)11-19-9-10-20(16(19)21)14-7-5-4-6-8-14/h4-8,12H,3,9-11H2,1-2H3.
What are the key properties of 1-[(1-ethyl-5-methylimidazol-4-yl)methyl]-3-phenylimidazolidin-2-one?
1-[(1-ethyl-5-methylimidazol-4-yl)methyl]-3-phenylimidazolidin-2-one has a molecular weight of 284.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-5-methylimidazol-4-yl)methyl]-3-phenylimidazolidin-2-one is sourced from PubChem (CID 10565004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).