1-propan-2-yl-3-(4-propan-2-yl-2-pyridinyl)imidazolidin-2-one

C14H21N3O — CID 139481498

IUPAC1-propan-2-yl-3-(4-propan-2-yl-2-pyridinyl)imidazolidin-2-one
SMILESCC(C)c1ccnc(N2CCN(C(C)C)C2=O)c1
InChIInChI=1S/C14H21N3O/c1-10(2)12-5-6-15-13(9-12)17-8-7-16(11(3)4)14(17)18/h5-6,9-11H,7-8H2,1-4H3
InChIKeyHUXWDIHQNATCNK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.86
Rot. Bonds3

About 1-propan-2-yl-3-(4-propan-2-yl-2-pyridinyl)imidazolidin-2-one

1-propan-2-yl-3-(4-propan-2-yl-2-pyridinyl)imidazolidin-2-one (PubChem CID 139481498) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-propan-2-yl-3-(4-propan-2-yl-2-pyridinyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-(4-propan-2-yl-2-pyridinyl)imidazolidin-2-one
PubChem CID139481498
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-propan-2-yl-3-(4-propan-2-yl-2-pyridinyl)imidazolidin-2-one
SMILESCC(C)c1ccnc(N2CCN(C(C)C)C2=O)c1
InChIInChI=1S/C14H21N3O/c1-10(2)12-5-6-15-13(9-12)17-8-7-16(11(3)4)14(17)18/h5-6,9-11H,7-8H2,1-4H3
InChIKeyHUXWDIHQNATCNK-UHFFFAOYSA-N
XLogP2.86
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(4-propan-2-yl-2-pyridinyl)imidazolidin-2-one?
The IUPAC name of 1-propan-2-yl-3-(4-propan-2-yl-2-pyridinyl)imidazolidin-2-one (CID 139481498) is 1-propan-2-yl-3-(4-propan-2-yl-2-pyridinyl)imidazolidin-2-one.
What is the SMILES notation for 1-propan-2-yl-3-(4-propan-2-yl-2-pyridinyl)imidazolidin-2-one?
The canonical SMILES for 1-propan-2-yl-3-(4-propan-2-yl-2-pyridinyl)imidazolidin-2-one is CC(C)c1ccnc(N2CCN(C(C)C)C2=O)c1.
What is the InChIKey of 1-propan-2-yl-3-(4-propan-2-yl-2-pyridinyl)imidazolidin-2-one?
The InChIKey is HUXWDIHQNATCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)12-5-6-15-13(9-12)17-8-7-16(11(3)4)14(17)18/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-(4-propan-2-yl-2-pyridinyl)imidazolidin-2-one?
1-propan-2-yl-3-(4-propan-2-yl-2-pyridinyl)imidazolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(4-propan-2-yl-2-pyridinyl)imidazolidin-2-one is sourced from PubChem (CID 139481498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).