1-[2-(tert-butylamino)ethyl]-4-methyl-5-methylidene-4-phenylimidazolidin-2-one

C17H25N3O — CID 157416563

IUPAC1-[2-(tert-butylamino)ethyl]-4-methyl-5-methylidene-4-phenylimidazolidin-2-one
SMILESC=C1N(CCNC(C)(C)C)C(=O)NC1(C)c1ccccc1
InChIInChI=1S/C17H25N3O/c1-13-17(5,14-9-7-6-8-10-14)19-15(21)20(13)12-11-18-16(2,3)4/h6-10,18H,1,11-12H2,2-5H3,(H,19,21)
InChIKeyRRFYGQWTORDZEO-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.83
Rot. Bonds4

About 1-[2-(tert-butylamino)ethyl]-4-methyl-5-methylidene-4-phenylimidazolidin-2-one

1-[2-(tert-butylamino)ethyl]-4-methyl-5-methylidene-4-phenylimidazolidin-2-one (PubChem CID 157416563) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)ethyl]-4-methyl-5-methylidene-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(tert-butylamino)ethyl]-4-methyl-5-methylidene-4-phenylimidazolidin-2-one
PubChem CID157416563
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[2-(tert-butylamino)ethyl]-4-methyl-5-methylidene-4-phenylimidazolidin-2-one
SMILESC=C1N(CCNC(C)(C)C)C(=O)NC1(C)c1ccccc1
InChIInChI=1S/C17H25N3O/c1-13-17(5,14-9-7-6-8-10-14)19-15(21)20(13)12-11-18-16(2,3)4/h6-10,18H,1,11-12H2,2-5H3,(H,19,21)
InChIKeyRRFYGQWTORDZEO-UHFFFAOYSA-N
XLogP2.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)ethyl]-4-methyl-5-methylidene-4-phenylimidazolidin-2-one?
The IUPAC name of 1-[2-(tert-butylamino)ethyl]-4-methyl-5-methylidene-4-phenylimidazolidin-2-one (CID 157416563) is 1-[2-(tert-butylamino)ethyl]-4-methyl-5-methylidene-4-phenylimidazolidin-2-one.
What is the SMILES notation for 1-[2-(tert-butylamino)ethyl]-4-methyl-5-methylidene-4-phenylimidazolidin-2-one?
The canonical SMILES for 1-[2-(tert-butylamino)ethyl]-4-methyl-5-methylidene-4-phenylimidazolidin-2-one is C=C1N(CCNC(C)(C)C)C(=O)NC1(C)c1ccccc1.
What is the InChIKey of 1-[2-(tert-butylamino)ethyl]-4-methyl-5-methylidene-4-phenylimidazolidin-2-one?
The InChIKey is RRFYGQWTORDZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-17(5,14-9-7-6-8-10-14)19-15(21)20(13)12-11-18-16(2,3)4/h6-10,18H,1,11-12H2,2-5H3,(H,19,21).
What are the key properties of 1-[2-(tert-butylamino)ethyl]-4-methyl-5-methylidene-4-phenylimidazolidin-2-one?
1-[2-(tert-butylamino)ethyl]-4-methyl-5-methylidene-4-phenylimidazolidin-2-one has a molecular weight of 287.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)ethyl]-4-methyl-5-methylidene-4-phenylimidazolidin-2-one is sourced from PubChem (CID 157416563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).