2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone

C11H11ClN2O — CID 39104493

IUPAC2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone
SMILESCc1nc2cc(C(=O)CCl)ccc2n1C
InChIInChI=1S/C11H11ClN2O/c1-7-13-9-5-8(11(15)6-12)3-4-10(9)14(7)2/h3-5H,6H2,1-2H3
InChIKeyIHPUOFPZKQLIAF-UHFFFAOYSA-N
MW222.67 g/mol
LogP2.30
Rot. Bonds2

About 2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone

2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone (PubChem CID 39104493) has the molecular formula C11H11ClN2O and a molecular weight of 222.67 g/mol. Its IUPAC name is 2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone
PubChem CID39104493
Molecular FormulaC11H11ClN2O
Molecular Weight222.67 g/mol
Exact Mass222.06
IUPAC Name2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone
SMILESCc1nc2cc(C(=O)CCl)ccc2n1C
InChIInChI=1S/C11H11ClN2O/c1-7-13-9-5-8(11(15)6-12)3-4-10(9)14(7)2/h3-5H,6H2,1-2H3
InChIKeyIHPUOFPZKQLIAF-UHFFFAOYSA-N
XLogP2.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 52.30
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

4-(1,2-dimethylbenzimidazol-5-yl)-4-oxobutanenitrile
CID 116862122
1-(1,2-dimethylbenzimidazol-5-yl)-3-piperazin-1-ylpropan-1-one
CID 94724130
3-(1,2-dimethylbenzimidazol-5-yl)-2-methyl-3-oxopropanoic acid
CID 116918248
N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 110765810
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
(1,2-dimethylbenzimidazol-5-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116922620
N-[(1-hydroxycyclobutyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 111445697
N-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 111332930
N,N-dibenzyl-1,2-dimethylbenzimidazole-5-carboxamide
CID 100776245
1-methoxypropan-2-yl 1,2-dimethylbenzimidazole-5-carboxylate
CID 75521574
1,2-dimethyl-N-pyrimidin-2-ylbenzimidazole-5-carboxamide
CID 110765853
[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 110802064

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone?
The IUPAC name of 2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone (CID 39104493) is 2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone?
The canonical SMILES for 2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone is Cc1nc2cc(C(=O)CCl)ccc2n1C.
What is the InChIKey of 2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone?
The InChIKey is IHPUOFPZKQLIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-7-13-9-5-8(11(15)6-12)3-4-10(9)14(7)2/h3-5H,6H2,1-2H3.
What are the key properties of 2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone?
2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone has a molecular weight of 222.67 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone is sourced from PubChem (CID 39104493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).