5-butyl-3-propan-2-yl-1H-imidazol-2-one

C10H18N2O — CID 18384891

IUPAC5-butyl-3-propan-2-yl-1H-imidazol-2-one
SMILESCCCCc1cn(C(C)C)c(=O)[nH]1
InChIInChI=1S/C10H18N2O/c1-4-5-6-9-7-12(8(2)3)10(13)11-9/h7-8H,4-6H2,1-3H3,(H,11,13)
InChIKeyOAWAXDSNOQMOKL-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.10
Rot. Bonds4

About 5-butyl-3-propan-2-yl-1H-imidazol-2-one

5-butyl-3-propan-2-yl-1H-imidazol-2-one (PubChem CID 18384891) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 5-butyl-3-propan-2-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-butyl-3-propan-2-yl-1H-imidazol-2-one
PubChem CID18384891
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name5-butyl-3-propan-2-yl-1H-imidazol-2-one
SMILESCCCCc1cn(C(C)C)c(=O)[nH]1
InChIInChI=1S/C10H18N2O/c1-4-5-6-9-7-12(8(2)3)10(13)11-9/h7-8H,4-6H2,1-3H3,(H,11,13)
InChIKeyOAWAXDSNOQMOKL-UHFFFAOYSA-N
XLogP2.10
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-propan-2-yl-1H-imidazol-2-one?
The IUPAC name of 5-butyl-3-propan-2-yl-1H-imidazol-2-one (CID 18384891) is 5-butyl-3-propan-2-yl-1H-imidazol-2-one.
What is the SMILES notation for 5-butyl-3-propan-2-yl-1H-imidazol-2-one?
The canonical SMILES for 5-butyl-3-propan-2-yl-1H-imidazol-2-one is CCCCc1cn(C(C)C)c(=O)[nH]1.
What is the InChIKey of 5-butyl-3-propan-2-yl-1H-imidazol-2-one?
The InChIKey is OAWAXDSNOQMOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-5-6-9-7-12(8(2)3)10(13)11-9/h7-8H,4-6H2,1-3H3,(H,11,13).
What are the key properties of 5-butyl-3-propan-2-yl-1H-imidazol-2-one?
5-butyl-3-propan-2-yl-1H-imidazol-2-one has a molecular weight of 182.27 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-propan-2-yl-1H-imidazol-2-one is sourced from PubChem (CID 18384891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).