1-(1-chlorocyclopropyl)-2-imidazol-1-ylethanone

C8H9ClN2O — CID 174883064

IUPAC1-(1-chlorocyclopropyl)-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)C1(Cl)CC1
InChIInChI=1S/C8H9ClN2O/c9-8(1-2-8)7(12)5-11-4-3-10-6-11/h3-4,6H,1-2,5H2
InChIKeyLNMBREGEUSSQCJ-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.22
Rot. Bonds3

About 1-(1-chlorocyclopropyl)-2-imidazol-1-ylethanone

1-(1-chlorocyclopropyl)-2-imidazol-1-ylethanone (PubChem CID 174883064) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 1-(1-chlorocyclopropyl)-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-(1-chlorocyclopropyl)-2-imidazol-1-ylethanone
PubChem CID174883064
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name1-(1-chlorocyclopropyl)-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)C1(Cl)CC1
InChIInChI=1S/C8H9ClN2O/c9-8(1-2-8)7(12)5-11-4-3-10-6-11/h3-4,6H,1-2,5H2
InChIKeyLNMBREGEUSSQCJ-UHFFFAOYSA-N
XLogP1.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.22
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

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CID 19872160
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1-(3-aminoazetidin-1-yl)-2-imidazol-1-ylethanone
CID 130585938
imidazol-1-ylmethylcarbamic acid
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1-imidazol-1-yl-3,3,5,5-tetramethylhexan-2-one
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1-(2-imidazol-1-ylethyl)cyclopropan-1-ol
CID 84649635
2-imidazol-1-yl-N-(2-piperidin-1-ylethyl)acetamide
CID 139978601
1-(4-ethylpiperazin-1-yl)-2-imidazol-1-ylethanone
CID 110849987
N-ethyl-2-imidazol-1-ylacetamide;molecular hydrogen
CID 177063999
N'-hydroxy-2-imidazol-1-ylethanimidamide
CID 24705664
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CID 12841537

Frequently Asked Questions

What is the IUPAC name of 1-(1-chlorocyclopropyl)-2-imidazol-1-ylethanone?
The IUPAC name of 1-(1-chlorocyclopropyl)-2-imidazol-1-ylethanone (CID 174883064) is 1-(1-chlorocyclopropyl)-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-(1-chlorocyclopropyl)-2-imidazol-1-ylethanone?
The canonical SMILES for 1-(1-chlorocyclopropyl)-2-imidazol-1-ylethanone is O=C(Cn1ccnc1)C1(Cl)CC1.
What is the InChIKey of 1-(1-chlorocyclopropyl)-2-imidazol-1-ylethanone?
The InChIKey is LNMBREGEUSSQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c9-8(1-2-8)7(12)5-11-4-3-10-6-11/h3-4,6H,1-2,5H2.
What are the key properties of 1-(1-chlorocyclopropyl)-2-imidazol-1-ylethanone?
1-(1-chlorocyclopropyl)-2-imidazol-1-ylethanone has a molecular weight of 184.63 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chlorocyclopropyl)-2-imidazol-1-ylethanone is sourced from PubChem (CID 174883064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).