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

C9H13BrN2O — CID 172993329

IUPAC4-bromo-3-cyclohexyl-1H-imidazol-2-one
SMILESO=c1[nH]cc(Br)n1C1CCCCC1
InChIInChI=1S/C9H13BrN2O/c10-8-6-11-9(13)12(8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,13)
InChIKeyOPMAKXFVGMZQMA-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.44
Rot. Bonds1

About 4-bromo-3-cyclohexyl-1H-imidazol-2-one

4-bromo-3-cyclohexyl-1H-imidazol-2-one (PubChem CID 172993329) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 4-bromo-3-cyclohexyl-1H-imidazol-2-one.

Molecular Properties

Compound Name4-bromo-3-cyclohexyl-1H-imidazol-2-one
PubChem CID172993329
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name4-bromo-3-cyclohexyl-1H-imidazol-2-one
SMILESO=c1[nH]cc(Br)n1C1CCCCC1
InChIInChI=1S/C9H13BrN2O/c10-8-6-11-9(13)12(8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,13)
InChIKeyOPMAKXFVGMZQMA-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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Related Compounds

3-cyclohexyl-1H-imidazol-2-one
CID 294111
3-cyclohexyl-4-hydroxy-1H-imidazol-2-one
CID 54374640
1-Cyclohexyl-3-ethenyl-1-methylurea
CID 108909061
3-(3-aminocyclohexyl)-1H-imidazol-2-one
CID 84014018
3-(2-aminocyclohexyl)-1H-imidazol-2-one
CID 84014019
3-(4-aminocyclohexyl)-1H-imidazol-2-one
CID 84014020
3-(4-aminocyclohexyl)-4-chloro-1H-imidazol-2-one
CID 84027287
3-[4-(methylamino)cyclohexyl]-1H-imidazol-2-one
CID 103124638
3-[(1R,2R)-2-aminocyclohexyl]-1H-imidazol-2-one
CID 103124921
4-bromo-1-cyclohexyl-1,3-dihydro-2H-imidazol-2-one
CID 172992923
4-bromo-1-cyclopentyl-1,3-dihydro-2H-imidazol-2-one
CID 172993299
5-bromo-1-cyclopentyl-1,3-dihydro-2H-imidazol-2-one
CID 172993328

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-cyclohexyl-1H-imidazol-2-one?
The IUPAC name of 4-bromo-3-cyclohexyl-1H-imidazol-2-one (CID 172993329) is 4-bromo-3-cyclohexyl-1H-imidazol-2-one.
What is the SMILES notation for 4-bromo-3-cyclohexyl-1H-imidazol-2-one?
The canonical SMILES for 4-bromo-3-cyclohexyl-1H-imidazol-2-one is O=c1[nH]cc(Br)n1C1CCCCC1.
What is the InChIKey of 4-bromo-3-cyclohexyl-1H-imidazol-2-one?
The InChIKey is OPMAKXFVGMZQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c10-8-6-11-9(13)12(8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,13).
What are the key properties of 4-bromo-3-cyclohexyl-1H-imidazol-2-one?
4-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 4-bromo-3-cyclohexyl-1H-imidazol-2-one is sourced from PubChem (CID 172993329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).