1-[2-(1,4-dimethyl-5-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one

C16H27N3O — CID 59540142

IUPAC1-[2-(1,4-dimethyl-5-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCc1nc(C2CCCN2C(=O)C(C)C)n(C)c1C(C)C
InChIInChI=1S/C16H27N3O/c1-10(2)14-12(5)17-15(18(14)6)13-8-7-9-19(13)16(20)11(3)4/h10-11,13H,7-9H2,1-6H3
InChIKeyZNPHPIWFEYBVMF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.17
Rot. Bonds3

About 1-[2-(1,4-dimethyl-5-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one

1-[2-(1,4-dimethyl-5-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 59540142) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[2-(1,4-dimethyl-5-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-(1,4-dimethyl-5-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID59540142
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[2-(1,4-dimethyl-5-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCc1nc(C2CCCN2C(=O)C(C)C)n(C)c1C(C)C
InChIInChI=1S/C16H27N3O/c1-10(2)14-12(5)17-15(18(14)6)13-8-7-9-19(13)16(20)11(3)4/h10-11,13H,7-9H2,1-6H3
InChIKeyZNPHPIWFEYBVMF-UHFFFAOYSA-N
XLogP3.17
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4-dimethyl-5-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-(1,4-dimethyl-5-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one (CID 59540142) is 1-[2-(1,4-dimethyl-5-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-(1,4-dimethyl-5-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-(1,4-dimethyl-5-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one is Cc1nc(C2CCCN2C(=O)C(C)C)n(C)c1C(C)C.
What is the InChIKey of 1-[2-(1,4-dimethyl-5-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is ZNPHPIWFEYBVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-10(2)14-12(5)17-15(18(14)6)13-8-7-9-19(13)16(20)11(3)4/h10-11,13H,7-9H2,1-6H3.
What are the key properties of 1-[2-(1,4-dimethyl-5-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one?
1-[2-(1,4-dimethyl-5-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 277.41 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,4-dimethyl-5-propan-2-ylimidazol-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 59540142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).