1-(3-amino-3-methylbutyl)-3-methyl-4-(5-methylfuran-2-yl)imidazolidin-2-one

C14H23N3O2 — CID 116981657

IUPAC1-(3-amino-3-methylbutyl)-3-methyl-4-(5-methylfuran-2-yl)imidazolidin-2-one
SMILESCc1ccc(C2CN(CCC(C)(C)N)C(=O)N2C)o1
InChIInChI=1S/C14H23N3O2/c1-10-5-6-12(19-10)11-9-17(13(18)16(11)4)8-7-14(2,3)15/h5-6,11H,7-9,15H2,1-4H3
InChIKeyFDOJQDIDHCQRSG-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.12
Rot. Bonds4

About 1-(3-amino-3-methylbutyl)-3-methyl-4-(5-methylfuran-2-yl)imidazolidin-2-one

1-(3-amino-3-methylbutyl)-3-methyl-4-(5-methylfuran-2-yl)imidazolidin-2-one (PubChem CID 116981657) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(3-amino-3-methylbutyl)-3-methyl-4-(5-methylfuran-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-amino-3-methylbutyl)-3-methyl-4-(5-methylfuran-2-yl)imidazolidin-2-one
PubChem CID116981657
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-(3-amino-3-methylbutyl)-3-methyl-4-(5-methylfuran-2-yl)imidazolidin-2-one
SMILESCc1ccc(C2CN(CCC(C)(C)N)C(=O)N2C)o1
InChIInChI=1S/C14H23N3O2/c1-10-5-6-12(19-10)11-9-17(13(18)16(11)4)8-7-14(2,3)15/h5-6,11H,7-9,15H2,1-4H3
InChIKeyFDOJQDIDHCQRSG-UHFFFAOYSA-N
XLogP2.12
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-methylbutyl)-3-methyl-4-(5-methylfuran-2-yl)imidazolidin-2-one?
The IUPAC name of 1-(3-amino-3-methylbutyl)-3-methyl-4-(5-methylfuran-2-yl)imidazolidin-2-one (CID 116981657) is 1-(3-amino-3-methylbutyl)-3-methyl-4-(5-methylfuran-2-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-amino-3-methylbutyl)-3-methyl-4-(5-methylfuran-2-yl)imidazolidin-2-one?
The canonical SMILES for 1-(3-amino-3-methylbutyl)-3-methyl-4-(5-methylfuran-2-yl)imidazolidin-2-one is Cc1ccc(C2CN(CCC(C)(C)N)C(=O)N2C)o1.
What is the InChIKey of 1-(3-amino-3-methylbutyl)-3-methyl-4-(5-methylfuran-2-yl)imidazolidin-2-one?
The InChIKey is FDOJQDIDHCQRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-5-6-12(19-10)11-9-17(13(18)16(11)4)8-7-14(2,3)15/h5-6,11H,7-9,15H2,1-4H3.
What are the key properties of 1-(3-amino-3-methylbutyl)-3-methyl-4-(5-methylfuran-2-yl)imidazolidin-2-one?
1-(3-amino-3-methylbutyl)-3-methyl-4-(5-methylfuran-2-yl)imidazolidin-2-one has a molecular weight of 265.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-methylbutyl)-3-methyl-4-(5-methylfuran-2-yl)imidazolidin-2-one is sourced from PubChem (CID 116981657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).