1-(2-chloro-1-methylbenzimidazol-5-yl)ethanone

C10H9ClN2O — CID 83834351

IUPAC1-(2-chloro-1-methylbenzimidazol-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)nc(Cl)n2C
InChIInChI=1S/C10H9ClN2O/c1-6(14)7-3-4-9-8(5-7)12-10(11)13(9)2/h3-5H,1-2H3
InChIKeyMJSWCFNKFHTFMX-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.43
Rot. Bonds1

About 1-(2-chloro-1-methylbenzimidazol-5-yl)ethanone

1-(2-chloro-1-methylbenzimidazol-5-yl)ethanone (PubChem CID 83834351) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 1-(2-chloro-1-methylbenzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-1-methylbenzimidazol-5-yl)ethanone
PubChem CID83834351
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name1-(2-chloro-1-methylbenzimidazol-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)nc(Cl)n2C
InChIInChI=1S/C10H9ClN2O/c1-6(14)7-3-4-9-8(5-7)12-10(11)13(9)2/h3-5H,1-2H3
InChIKeyMJSWCFNKFHTFMX-UHFFFAOYSA-N
XLogP2.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-1-methylbenzimidazol-5-yl)ethanone?
The IUPAC name of 1-(2-chloro-1-methylbenzimidazol-5-yl)ethanone (CID 83834351) is 1-(2-chloro-1-methylbenzimidazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-chloro-1-methylbenzimidazol-5-yl)ethanone?
The canonical SMILES for 1-(2-chloro-1-methylbenzimidazol-5-yl)ethanone is CC(=O)c1ccc2c(c1)nc(Cl)n2C.
What is the InChIKey of 1-(2-chloro-1-methylbenzimidazol-5-yl)ethanone?
The InChIKey is MJSWCFNKFHTFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-6(14)7-3-4-9-8(5-7)12-10(11)13(9)2/h3-5H,1-2H3.
What are the key properties of 1-(2-chloro-1-methylbenzimidazol-5-yl)ethanone?
1-(2-chloro-1-methylbenzimidazol-5-yl)ethanone has a molecular weight of 208.65 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1-methylbenzimidazol-5-yl)ethanone is sourced from PubChem (CID 83834351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).