1-(2-acetylbenzimidazol-1-yl)-2-chloroethanone

C11H9ClN2O2 — CID 19256617

IUPAC1-(2-acetylbenzimidazol-1-yl)-2-chloroethanone
SMILESCC(=O)c1nc2ccccc2n1C(=O)CCl
InChIInChI=1S/C11H9ClN2O2/c1-7(15)11-13-8-4-2-3-5-9(8)14(11)10(16)6-12/h2-5H,6H2,1H3
InChIKeySDOPWMIVOLIKPP-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.12
Rot. Bonds2

About 1-(2-acetylbenzimidazol-1-yl)-2-chloroethanone

1-(2-acetylbenzimidazol-1-yl)-2-chloroethanone (PubChem CID 19256617) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 1-(2-acetylbenzimidazol-1-yl)-2-chloroethanone.

Molecular Properties

Compound Name1-(2-acetylbenzimidazol-1-yl)-2-chloroethanone
PubChem CID19256617
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name1-(2-acetylbenzimidazol-1-yl)-2-chloroethanone
SMILESCC(=O)c1nc2ccccc2n1C(=O)CCl
InChIInChI=1S/C11H9ClN2O2/c1-7(15)11-13-8-4-2-3-5-9(8)14(11)10(16)6-12/h2-5H,6H2,1H3
InChIKeySDOPWMIVOLIKPP-UHFFFAOYSA-N
XLogP2.12
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-acetylbenzimidazol-1-yl)-2-[bis(2-hydroxyethyl)amino]ethanone
CID 19256724
4-[2-(2-acetylbenzimidazol-1-yl)-2-oxoethyl]piperazine-1-carbaldehyde
CID 19256731
2-[1-(2-chloroacetyl)benzimidazol-2-yl]acetonitrile
CID 603560
1-(2-acetylbenzimidazol-1-yl)-2-(diethylamino)propan-1-one
CID 19256735
1-(1-ethylbenzimidazol-2-yl)ethanone
CID 5149999
1-[1-(2-hydroxyethyl)benzimidazol-2-yl]ethanone
CID 12515570
2-chloro-1-[2-(4-methylpiperidin-1-yl)benzimidazol-1-yl]ethanone
CID 66489703
1-[1-(pyridine-3-carbonyl)benzimidazol-2-yl]ethanone
CID 19256635
1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone
CID 11715904
1-(1-methylsulfonylbenzimidazol-2-yl)ethanone
CID 19256624
1-(2-acetylbenzimidazol-1-yl)-2-piperidin-1-ylpentan-1-one
CID 19256812
1-(2-ethylbenzimidazol-1-yl)ethanone
CID 45078254

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetylbenzimidazol-1-yl)-2-chloroethanone?
The IUPAC name of 1-(2-acetylbenzimidazol-1-yl)-2-chloroethanone (CID 19256617) is 1-(2-acetylbenzimidazol-1-yl)-2-chloroethanone.
What is the SMILES notation for 1-(2-acetylbenzimidazol-1-yl)-2-chloroethanone?
The canonical SMILES for 1-(2-acetylbenzimidazol-1-yl)-2-chloroethanone is CC(=O)c1nc2ccccc2n1C(=O)CCl.
What is the InChIKey of 1-(2-acetylbenzimidazol-1-yl)-2-chloroethanone?
The InChIKey is SDOPWMIVOLIKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-7(15)11-13-8-4-2-3-5-9(8)14(11)10(16)6-12/h2-5H,6H2,1H3.
What are the key properties of 1-(2-acetylbenzimidazol-1-yl)-2-chloroethanone?
1-(2-acetylbenzimidazol-1-yl)-2-chloroethanone has a molecular weight of 236.66 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetylbenzimidazol-1-yl)-2-chloroethanone is sourced from PubChem (CID 19256617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).