1-(3-aminopropyl)-3-methyl-4-(4-methylphenyl)imidazolidin-2-one

C14H21N3O — CID 116981435

IUPAC1-(3-aminopropyl)-3-methyl-4-(4-methylphenyl)imidazolidin-2-one
SMILESCc1ccc(C2CN(CCCN)C(=O)N2C)cc1
InChIInChI=1S/C14H21N3O/c1-11-4-6-12(7-5-11)13-10-17(9-3-8-15)14(18)16(13)2/h4-7,13H,3,8-10,15H2,1-2H3
InChIKeyHMXAEKQETDLKBH-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.75
Rot. Bonds4

About 1-(3-aminopropyl)-3-methyl-4-(4-methylphenyl)imidazolidin-2-one

1-(3-aminopropyl)-3-methyl-4-(4-methylphenyl)imidazolidin-2-one (PubChem CID 116981435) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-methyl-4-(4-methylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-methyl-4-(4-methylphenyl)imidazolidin-2-one
PubChem CID116981435
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(3-aminopropyl)-3-methyl-4-(4-methylphenyl)imidazolidin-2-one
SMILESCc1ccc(C2CN(CCCN)C(=O)N2C)cc1
InChIInChI=1S/C14H21N3O/c1-11-4-6-12(7-5-11)13-10-17(9-3-8-15)14(18)16(13)2/h4-7,13H,3,8-10,15H2,1-2H3
InChIKeyHMXAEKQETDLKBH-UHFFFAOYSA-N
XLogP1.75
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-methyl-4-(4-methylphenyl)imidazolidin-2-one?
The IUPAC name of 1-(3-aminopropyl)-3-methyl-4-(4-methylphenyl)imidazolidin-2-one (CID 116981435) is 1-(3-aminopropyl)-3-methyl-4-(4-methylphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-aminopropyl)-3-methyl-4-(4-methylphenyl)imidazolidin-2-one?
The canonical SMILES for 1-(3-aminopropyl)-3-methyl-4-(4-methylphenyl)imidazolidin-2-one is Cc1ccc(C2CN(CCCN)C(=O)N2C)cc1.
What is the InChIKey of 1-(3-aminopropyl)-3-methyl-4-(4-methylphenyl)imidazolidin-2-one?
The InChIKey is HMXAEKQETDLKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-4-6-12(7-5-11)13-10-17(9-3-8-15)14(18)16(13)2/h4-7,13H,3,8-10,15H2,1-2H3.
What are the key properties of 1-(3-aminopropyl)-3-methyl-4-(4-methylphenyl)imidazolidin-2-one?
1-(3-aminopropyl)-3-methyl-4-(4-methylphenyl)imidazolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-methyl-4-(4-methylphenyl)imidazolidin-2-one is sourced from PubChem (CID 116981435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).