4-imino-5-propan-2-yl-1,3-dipropylimidazolidin-2-one

C12H23N3O — CID 159102252

IUPAC4-imino-5-propan-2-yl-1,3-dipropylimidazolidin-2-one
SMILES[H]/N=C1/C(C(C)C)N(CCC)C(=O)N1CCC
InChIInChI=1S/C12H23N3O/c1-5-7-14-10(9(3)4)11(13)15(8-6-2)12(14)16/h9-10,13H,5-8H2,1-4H3/b13-11-
InChIKeyCQNHIJOEVZFZLK-QBFSEMIESA-N
MW225.34 g/mol
LogP2.55
Rot. Bonds5

About 4-imino-5-propan-2-yl-1,3-dipropylimidazolidin-2-one

4-imino-5-propan-2-yl-1,3-dipropylimidazolidin-2-one (PubChem CID 159102252) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-imino-5-propan-2-yl-1,3-dipropylimidazolidin-2-one.

Molecular Properties

Compound Name4-imino-5-propan-2-yl-1,3-dipropylimidazolidin-2-one
PubChem CID159102252
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-imino-5-propan-2-yl-1,3-dipropylimidazolidin-2-one
SMILES[H]/N=C1/C(C(C)C)N(CCC)C(=O)N1CCC
InChIInChI=1S/C12H23N3O/c1-5-7-14-10(9(3)4)11(13)15(8-6-2)12(14)16/h9-10,13H,5-8H2,1-4H3/b13-11-
InChIKeyCQNHIJOEVZFZLK-QBFSEMIESA-N
XLogP2.55
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-imino-5-propan-2-yl-1,3-dipropylimidazolidin-2-one?
The IUPAC name of 4-imino-5-propan-2-yl-1,3-dipropylimidazolidin-2-one (CID 159102252) is 4-imino-5-propan-2-yl-1,3-dipropylimidazolidin-2-one.
What is the SMILES notation for 4-imino-5-propan-2-yl-1,3-dipropylimidazolidin-2-one?
The canonical SMILES for 4-imino-5-propan-2-yl-1,3-dipropylimidazolidin-2-one is [H]/N=C1/C(C(C)C)N(CCC)C(=O)N1CCC.
What is the InChIKey of 4-imino-5-propan-2-yl-1,3-dipropylimidazolidin-2-one?
The InChIKey is CQNHIJOEVZFZLK-QBFSEMIESA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-7-14-10(9(3)4)11(13)15(8-6-2)12(14)16/h9-10,13H,5-8H2,1-4H3/b13-11-.
What are the key properties of 4-imino-5-propan-2-yl-1,3-dipropylimidazolidin-2-one?
4-imino-5-propan-2-yl-1,3-dipropylimidazolidin-2-one has a molecular weight of 225.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-5-propan-2-yl-1,3-dipropylimidazolidin-2-one is sourced from PubChem (CID 159102252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).