1-[[1-(bromomethyl)cyclopropyl]methyl]-3-ethylimidazol-2-one

C10H15BrN2O — CID 80580398

IUPAC1-[[1-(bromomethyl)cyclopropyl]methyl]-3-ethylimidazol-2-one
SMILESCCn1ccn(CC2(CBr)CC2)c1=O
InChIInChI=1S/C10H15BrN2O/c1-2-12-5-6-13(9(12)14)8-10(7-11)3-4-10/h5-6H,2-4,7-8H2,1H3
InChIKeyHJDMOFPBMYNHAH-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.84
Rot. Bonds4

About 1-[[1-(bromomethyl)cyclopropyl]methyl]-3-ethylimidazol-2-one

1-[[1-(bromomethyl)cyclopropyl]methyl]-3-ethylimidazol-2-one (PubChem CID 80580398) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopropyl]methyl]-3-ethylimidazol-2-one.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopropyl]methyl]-3-ethylimidazol-2-one
PubChem CID80580398
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name1-[[1-(bromomethyl)cyclopropyl]methyl]-3-ethylimidazol-2-one
SMILESCCn1ccn(CC2(CBr)CC2)c1=O
InChIInChI=1S/C10H15BrN2O/c1-2-12-5-6-13(9(12)14)8-10(7-11)3-4-10/h5-6H,2-4,7-8H2,1H3
InChIKeyHJDMOFPBMYNHAH-UHFFFAOYSA-N
XLogP1.84
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(bromomethyl)oxan-4-yl]methyl]-3-propylimidazol-2-one
CID 80580370
2-[1-[(3-ethyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetonitrile
CID 80581592
1-ethyl-3-[[4-(sulfanylmethyl)oxan-4-yl]methyl]imidazol-2-one
CID 80583000
1-[[4-(bromomethyl)oxan-4-yl]methyl]-4-methylpyrazine-2,3-dione
CID 65006535
1-[[1-(bromomethyl)cyclobutyl]methyl]-3-methylpyridin-2-one
CID 65007887
5-bromo-1-[[1-(bromomethyl)cyclopropyl]methyl]pyridin-2-one
CID 65008513
1-[[1-(bromomethyl)cyclobutyl]methyl]-4-methylpyrimidin-2-one
CID 130485219
1-[[1-(bromomethyl)cyclopropyl]methyl]-4,4-dimethylpiperidine-2,6-dione
CID 65008469
1-[2-(bromomethyl)butyl]-3-ethylimidazol-2-one
CID 80580205
1-[[1-(bromomethyl)cyclopropyl]methyl]-6-oxopyridine-3-carbonitrile
CID 130561273
1-[[1-(bromomethyl)cycloheptyl]methyl]-2-propan-2-ylimidazole
CID 65010047
1-(2-chloroethyl)-3-ethylimidazol-2-one
CID 80580275

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclopropyl]methyl]-3-ethylimidazol-2-one?
The IUPAC name of 1-[[1-(bromomethyl)cyclopropyl]methyl]-3-ethylimidazol-2-one (CID 80580398) is 1-[[1-(bromomethyl)cyclopropyl]methyl]-3-ethylimidazol-2-one.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopropyl]methyl]-3-ethylimidazol-2-one?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopropyl]methyl]-3-ethylimidazol-2-one is CCn1ccn(CC2(CBr)CC2)c1=O.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopropyl]methyl]-3-ethylimidazol-2-one?
The InChIKey is HJDMOFPBMYNHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-2-12-5-6-13(9(12)14)8-10(7-11)3-4-10/h5-6H,2-4,7-8H2,1H3.
What are the key properties of 1-[[1-(bromomethyl)cyclopropyl]methyl]-3-ethylimidazol-2-one?
1-[[1-(bromomethyl)cyclopropyl]methyl]-3-ethylimidazol-2-one has a molecular weight of 259.15 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopropyl]methyl]-3-ethylimidazol-2-one is sourced from PubChem (CID 80580398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).