3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one

C17H27N3O — CID 83246415

IUPAC3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
SMILESCc1ccc(C2NC(C)C(=O)N2CCCCN(C)C)cc1
InChIInChI=1S/C17H27N3O/c1-13-7-9-15(10-8-13)16-18-14(2)17(21)20(16)12-6-5-11-19(3)4/h7-10,14,16,18H,5-6,11-12H2,1-4H3
InChIKeyKIQWHCBZOJPETF-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.16
Rot. Bonds6

About 3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one

3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one (PubChem CID 83246415) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
PubChem CID83246415
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
SMILESCc1ccc(C2NC(C)C(=O)N2CCCCN(C)C)cc1
InChIInChI=1S/C17H27N3O/c1-13-7-9-15(10-8-13)16-18-14(2)17(21)20(16)12-6-5-11-19(3)4/h7-10,14,16,18H,5-6,11-12H2,1-4H3
InChIKeyKIQWHCBZOJPETF-UHFFFAOYSA-N
XLogP2.16
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide
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2,4-Imidazolidinedione, 3-(phenylmethyl)-
CID 231959
1-Benzylimidazolidin-2-one
CID 231403
Smac peptido-mimetic 1
CID 11200722
3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-N-(1-phenylpropyl)propionamide
CID 11580945
N-Benzyl-3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-propionamide
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(R)-N-Benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 155213164

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one?
The IUPAC name of 3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one (CID 83246415) is 3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one is Cc1ccc(C2NC(C)C(=O)N2CCCCN(C)C)cc1.
What is the InChIKey of 3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one?
The InChIKey is KIQWHCBZOJPETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-7-9-15(10-8-13)16-18-14(2)17(21)20(16)12-6-5-11-19(3)4/h7-10,14,16,18H,5-6,11-12H2,1-4H3.
What are the key properties of 3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one?
3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one has a molecular weight of 289.42 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83246415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).