N-[3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]propyl]methanesulfonamide

C13H17Cl2N3O2S — CID 106339215

IUPACN-[3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]propyl]methanesulfonamide
SMILESCC(Cl)c1nc2cc(Cl)ccc2n1CCCNS(C)(=O)=O
InChIInChI=1S/C13H17Cl2N3O2S/c1-9(14)13-17-11-8-10(15)4-5-12(11)18(13)7-3-6-16-21(2,19)20/h4-5,8-9,16H,3,6-7H2,1-2H3
InChIKeyALGGVJKCCXKOGX-UHFFFAOYSA-N
MW350.27 g/mol
LogP2.93
Rot. Bonds6

About N-[3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]propyl]methanesulfonamide

N-[3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]propyl]methanesulfonamide (PubChem CID 106339215) has the molecular formula C13H17Cl2N3O2S and a molecular weight of 350.27 g/mol. Its IUPAC name is N-[3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]propyl]methanesulfonamide
PubChem CID106339215
Molecular FormulaC13H17Cl2N3O2S
Molecular Weight350.27 g/mol
Exact Mass349.04
IUPAC NameN-[3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]propyl]methanesulfonamide
SMILESCC(Cl)c1nc2cc(Cl)ccc2n1CCCNS(C)(=O)=O
InChIInChI=1S/C13H17Cl2N3O2S/c1-9(14)13-17-11-8-10(15)4-5-12(11)18(13)7-3-6-16-21(2,19)20/h4-5,8-9,16H,3,6-7H2,1-2H3
InChIKeyALGGVJKCCXKOGX-UHFFFAOYSA-N
XLogP2.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]propyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]ethyl]methanesulfonamide
CID 43667671
N-[3-[2-(1-chloroethyl)-6-methylbenzimidazol-1-yl]propyl]methanesulfonamide
CID 106339107
4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60862901
5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
CID 106240379
5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
CID 43666414
N-[2-[5-bromo-2-(1-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]methanesulfonamide
CID 66086336
5-chloro-2-(1-chloroethyl)-1-(1-methylsulfonylpropan-2-yl)benzimidazole
CID 64642268
5-chloro-2-(1-chloroethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazole
CID 106037753
N-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]methanesulfonamide
CID 43667669
3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol
CID 46308438
5-chloro-2-[(1S)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93258606
5-chloro-2-(1-chloroethyl)-1-(2-cyclopentyloxyethyl)benzimidazole
CID 63827040

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]propyl]methanesulfonamide?
The IUPAC name of N-[3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]propyl]methanesulfonamide (CID 106339215) is N-[3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]propyl]methanesulfonamide is CC(Cl)c1nc2cc(Cl)ccc2n1CCCNS(C)(=O)=O.
What is the InChIKey of N-[3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]propyl]methanesulfonamide?
The InChIKey is ALGGVJKCCXKOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2S/c1-9(14)13-17-11-8-10(15)4-5-12(11)18(13)7-3-6-16-21(2,19)20/h4-5,8-9,16H,3,6-7H2,1-2H3.
What are the key properties of N-[3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]propyl]methanesulfonamide?
N-[3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]propyl]methanesulfonamide has a molecular weight of 350.27 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 106339215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).