N-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]methanesulfonamide

C12H15Cl2N3O2S — CID 43667669

IUPACN-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]methanesulfonamide
SMILESCC(Cl)c1nc2cccc(Cl)c2n1CCNS(C)(=O)=O
InChIInChI=1S/C12H15Cl2N3O2S/c1-8(13)12-16-10-5-3-4-9(14)11(10)17(12)7-6-15-20(2,18)19/h3-5,8,15H,6-7H2,1-2H3
InChIKeyJOHXMMXJXSVSDL-UHFFFAOYSA-N
MW336.24 g/mol
LogP2.54
Rot. Bonds5

About N-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]methanesulfonamide

N-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]methanesulfonamide (PubChem CID 43667669) has the molecular formula C12H15Cl2N3O2S and a molecular weight of 336.24 g/mol. Its IUPAC name is N-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]methanesulfonamide
PubChem CID43667669
Molecular FormulaC12H15Cl2N3O2S
Molecular Weight336.24 g/mol
Exact Mass335.03
IUPAC NameN-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]methanesulfonamide
SMILESCC(Cl)c1nc2cccc(Cl)c2n1CCNS(C)(=O)=O
InChIInChI=1S/C12H15Cl2N3O2S/c1-8(13)12-16-10-5-3-4-9(14)11(10)17(12)7-6-15-20(2,18)19/h3-5,8,15H,6-7H2,1-2H3
InChIKeyJOHXMMXJXSVSDL-UHFFFAOYSA-N
XLogP2.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-amino-7-chlorobenzimidazol-1-yl)ethyl]methanesulfonamide
CID 43662133
7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole
CID 93303287
7-chloro-2-(1-chloroethyl)-1-pentylbenzimidazole
CID 43666215
3-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 43666503
5-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
CID 106240470
4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60863795
7-chloro-2-(1-chloroethyl)-1-(3-methylsulfanylpropyl)benzimidazole
CID 63959987
N-[2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]ethyl]methanesulfonamide
CID 43667671
7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)benzimidazole
CID 63544860
7-chloro-2-(1-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole
CID 60914806
N-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-N-methylbutan-2-amine
CID 106004805
4-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]morpholine
CID 43666388

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]methanesulfonamide (CID 43667669) is N-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]methanesulfonamide is CC(Cl)c1nc2cccc(Cl)c2n1CCNS(C)(=O)=O.
What is the InChIKey of N-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]methanesulfonamide?
The InChIKey is JOHXMMXJXSVSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O2S/c1-8(13)12-16-10-5-3-4-9(14)11(10)17(12)7-6-15-20(2,18)19/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of N-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]methanesulfonamide?
N-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]methanesulfonamide has a molecular weight of 336.24 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 43667669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).