1-(3,3-dimethylbutyl)-3-propylimidazol-2-one

C12H22N2O — CID 116624740

IUPAC1-(3,3-dimethylbutyl)-3-propylimidazol-2-one
SMILESCCCn1ccn(CCC(C)(C)C)c1=O
InChIInChI=1S/C12H22N2O/c1-5-7-13-9-10-14(11(13)15)8-6-12(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyQWZLIVGMABMQSP-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.50
Rot. Bonds4

About 1-(3,3-dimethylbutyl)-3-propylimidazol-2-one

1-(3,3-dimethylbutyl)-3-propylimidazol-2-one (PubChem CID 116624740) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-3-propylimidazol-2-one
PubChem CID116624740
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(3,3-dimethylbutyl)-3-propylimidazol-2-one
SMILESCCCn1ccn(CCC(C)(C)C)c1=O
InChIInChI=1S/C12H22N2O/c1-5-7-13-9-10-14(11(13)15)8-6-12(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyQWZLIVGMABMQSP-UHFFFAOYSA-N
XLogP2.50
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-3-propylimidazol-2-one?
The IUPAC name of 1-(3,3-dimethylbutyl)-3-propylimidazol-2-one (CID 116624740) is 1-(3,3-dimethylbutyl)-3-propylimidazol-2-one.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-3-propylimidazol-2-one?
The canonical SMILES for 1-(3,3-dimethylbutyl)-3-propylimidazol-2-one is CCCn1ccn(CCC(C)(C)C)c1=O.
What is the InChIKey of 1-(3,3-dimethylbutyl)-3-propylimidazol-2-one?
The InChIKey is QWZLIVGMABMQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-7-13-9-10-14(11(13)15)8-6-12(2,3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-(3,3-dimethylbutyl)-3-propylimidazol-2-one?
1-(3,3-dimethylbutyl)-3-propylimidazol-2-one has a molecular weight of 210.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-3-propylimidazol-2-one is sourced from PubChem (CID 116624740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).