3-butyl-5-(2-methylpropyl)-1H-imidazol-2-one

C11H20N2O — CID 18384319

IUPAC3-butyl-5-(2-methylpropyl)-1H-imidazol-2-one
SMILESCCCCn1cc(CC(C)C)[nH]c1=O
InChIInChI=1S/C11H20N2O/c1-4-5-6-13-8-10(7-9(2)3)12-11(13)14/h8-9H,4-7H2,1-3H3,(H,12,14)
InChIKeyKHZPEMPBJGIHTA-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.17
Rot. Bonds5

About 3-butyl-5-(2-methylpropyl)-1H-imidazol-2-one

3-butyl-5-(2-methylpropyl)-1H-imidazol-2-one (PubChem CID 18384319) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-butyl-5-(2-methylpropyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-butyl-5-(2-methylpropyl)-1H-imidazol-2-one
PubChem CID18384319
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-butyl-5-(2-methylpropyl)-1H-imidazol-2-one
SMILESCCCCn1cc(CC(C)C)[nH]c1=O
InChIInChI=1S/C11H20N2O/c1-4-5-6-13-8-10(7-9(2)3)12-11(13)14/h8-9H,4-7H2,1-3H3,(H,12,14)
InChIKeyKHZPEMPBJGIHTA-UHFFFAOYSA-N
XLogP2.17
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(2-methylpropyl)-1H-imidazol-2-one?
The IUPAC name of 3-butyl-5-(2-methylpropyl)-1H-imidazol-2-one (CID 18384319) is 3-butyl-5-(2-methylpropyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-butyl-5-(2-methylpropyl)-1H-imidazol-2-one?
The canonical SMILES for 3-butyl-5-(2-methylpropyl)-1H-imidazol-2-one is CCCCn1cc(CC(C)C)[nH]c1=O.
What is the InChIKey of 3-butyl-5-(2-methylpropyl)-1H-imidazol-2-one?
The InChIKey is KHZPEMPBJGIHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-5-6-13-8-10(7-9(2)3)12-11(13)14/h8-9H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 3-butyl-5-(2-methylpropyl)-1H-imidazol-2-one?
3-butyl-5-(2-methylpropyl)-1H-imidazol-2-one has a molecular weight of 196.29 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(2-methylpropyl)-1H-imidazol-2-one is sourced from PubChem (CID 18384319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).