5-bromo-3-cyclohexyl-1H-imidazol-2-one

C9H13BrN2O — CID 172992923

IUPAC5-bromo-3-cyclohexyl-1H-imidazol-2-one
SMILESO=c1[nH]c(Br)cn1C1CCCCC1
InChIInChI=1S/C9H13BrN2O/c10-8-6-12(9(13)11-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,13)
InChIKeyGRLWMNVJYMBMJE-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.44
Rot. Bonds1

About 5-bromo-3-cyclohexyl-1H-imidazol-2-one

5-bromo-3-cyclohexyl-1H-imidazol-2-one (PubChem CID 172992923) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 5-bromo-3-cyclohexyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-bromo-3-cyclohexyl-1H-imidazol-2-one
PubChem CID172992923
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name5-bromo-3-cyclohexyl-1H-imidazol-2-one
SMILESO=c1[nH]c(Br)cn1C1CCCCC1
InChIInChI=1S/C9H13BrN2O/c10-8-6-12(9(13)11-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,13)
InChIKeyGRLWMNVJYMBMJE-UHFFFAOYSA-N
XLogP2.44
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-cyclohexyl-1H-imidazol-2-one?
The IUPAC name of 5-bromo-3-cyclohexyl-1H-imidazol-2-one (CID 172992923) is 5-bromo-3-cyclohexyl-1H-imidazol-2-one.
What is the SMILES notation for 5-bromo-3-cyclohexyl-1H-imidazol-2-one?
The canonical SMILES for 5-bromo-3-cyclohexyl-1H-imidazol-2-one is O=c1[nH]c(Br)cn1C1CCCCC1.
What is the InChIKey of 5-bromo-3-cyclohexyl-1H-imidazol-2-one?
The InChIKey is GRLWMNVJYMBMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c10-8-6-12(9(13)11-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,13).
What are the key properties of 5-bromo-3-cyclohexyl-1H-imidazol-2-one?
5-bromo-3-cyclohexyl-1H-imidazol-2-one has a molecular weight of 245.12 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-cyclohexyl-1H-imidazol-2-one is sourced from PubChem (CID 172992923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).