3-[4-(dimethylamino)butan-2-yl]-2-(3-methoxyphenyl)imidazolidin-4-one

C16H25N3O2 — CID 83253333

IUPAC3-[4-(dimethylamino)butan-2-yl]-2-(3-methoxyphenyl)imidazolidin-4-one
SMILESCOc1cccc(C2NCC(=O)N2C(C)CCN(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-12(8-9-18(2)3)19-15(20)11-17-16(19)13-6-5-7-14(10-13)21-4/h5-7,10,12,16-17H,8-9,11H2,1-4H3
InChIKeyZCQGXGWXLLZALB-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.47
Rot. Bonds6

About 3-[4-(dimethylamino)butan-2-yl]-2-(3-methoxyphenyl)imidazolidin-4-one

3-[4-(dimethylamino)butan-2-yl]-2-(3-methoxyphenyl)imidazolidin-4-one (PubChem CID 83253333) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[4-(dimethylamino)butan-2-yl]-2-(3-methoxyphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)butan-2-yl]-2-(3-methoxyphenyl)imidazolidin-4-one
PubChem CID83253333
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-[4-(dimethylamino)butan-2-yl]-2-(3-methoxyphenyl)imidazolidin-4-one
SMILESCOc1cccc(C2NCC(=O)N2C(C)CCN(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-12(8-9-18(2)3)19-15(20)11-17-16(19)13-6-5-7-14(10-13)21-4/h5-7,10,12,16-17H,8-9,11H2,1-4H3
InChIKeyZCQGXGWXLLZALB-UHFFFAOYSA-N
XLogP1.47
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethylpentan-2-yl)-2-(3-methoxyphenyl)imidazolidin-4-one
CID 83262898
3-[2-(dimethylamino)propyl]-2-(3-methoxyphenyl)imidazolidin-4-one
CID 83249778
3-[4-(dimethylamino)butan-2-yl]-2-thiophen-3-ylimidazolidin-4-one
CID 83249965
3-[4-(dimethylamino)butan-2-yl]-2-methylimidazolidin-4-one
CID 83249108
3-cyclopentyl-2-(3-methoxyphenyl)imidazolidin-4-one
CID 83242750
3-hexyl-2-(3-methoxyphenyl)imidazolidin-4-one
CID 83262651
2-(4-methoxyphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83262833
6-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248015
2-(3-fluorophenyl)-3-(1-methoxypentan-2-yl)imidazolidin-4-one
CID 83262999
2-(3-methoxyphenyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83253145
3-(6-methylheptan-2-yl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83252329
2-(3-chlorophenyl)-3-pentan-3-ylimidazolidin-4-one
CID 83242756

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)butan-2-yl]-2-(3-methoxyphenyl)imidazolidin-4-one?
The IUPAC name of 3-[4-(dimethylamino)butan-2-yl]-2-(3-methoxyphenyl)imidazolidin-4-one (CID 83253333) is 3-[4-(dimethylamino)butan-2-yl]-2-(3-methoxyphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-[4-(dimethylamino)butan-2-yl]-2-(3-methoxyphenyl)imidazolidin-4-one?
The canonical SMILES for 3-[4-(dimethylamino)butan-2-yl]-2-(3-methoxyphenyl)imidazolidin-4-one is COc1cccc(C2NCC(=O)N2C(C)CCN(C)C)c1.
What is the InChIKey of 3-[4-(dimethylamino)butan-2-yl]-2-(3-methoxyphenyl)imidazolidin-4-one?
The InChIKey is ZCQGXGWXLLZALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(8-9-18(2)3)19-15(20)11-17-16(19)13-6-5-7-14(10-13)21-4/h5-7,10,12,16-17H,8-9,11H2,1-4H3.
What are the key properties of 3-[4-(dimethylamino)butan-2-yl]-2-(3-methoxyphenyl)imidazolidin-4-one?
3-[4-(dimethylamino)butan-2-yl]-2-(3-methoxyphenyl)imidazolidin-4-one has a molecular weight of 291.39 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)butan-2-yl]-2-(3-methoxyphenyl)imidazolidin-4-one is sourced from PubChem (CID 83253333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).