2-[6-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-propylpropanamide

C15H19Cl2N3O — CID 115471248

IUPAC2-[6-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1c(CCCl)nc2ccc(Cl)cc21
InChIInChI=1S/C15H19Cl2N3O/c1-3-8-18-15(21)10(2)20-13-9-11(17)4-5-12(13)19-14(20)6-7-16/h4-5,9-10H,3,6-8H2,1-2H3,(H,18,21)
InChIKeyXNGPAWRMABJVQB-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.56
Rot. Bonds6

About 2-[6-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-propylpropanamide

2-[6-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-propylpropanamide (PubChem CID 115471248) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is 2-[6-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name2-[6-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-propylpropanamide
PubChem CID115471248
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name2-[6-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1c(CCCl)nc2ccc(Cl)cc21
InChIInChI=1S/C15H19Cl2N3O/c1-3-8-18-15(21)10(2)20-13-9-11(17)4-5-12(13)19-14(20)6-7-16/h4-5,9-10H,3,6-8H2,1-2H3,(H,18,21)
InChIKeyXNGPAWRMABJVQB-UHFFFAOYSA-N
XLogP3.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-chloroethyl)-6-cyanobenzimidazol-1-yl]-N-ethylpropanamide
CID 104715559
2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-N-ethylpropanamide
CID 115471241
2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]-N-propylpropanamide
CID 62533911
6-chloro-2-(2-chloroethyl)-1-(4-methylpentan-2-yl)benzimidazole
CID 113316284
6-chloro-2-(2-chloroethyl)-1-(1-ethoxypropan-2-yl)benzimidazole
CID 115471350
2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-propylpropanamide
CID 62594171
2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide
CID 115322847
2-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide
CID 65344760
3-[1-(methylamino)-1-oxopropan-2-yl]-2-propylbenzimidazole-5-carboxylic acid
CID 82769223
2-[2-(2-chloroethyl)-6-fluoro-5-iodobenzimidazol-1-yl]-N-methylpropanamide
CID 66093641
2-[2-(chloromethyl)-5-iodobenzimidazol-1-yl]-N-ethylpropanamide
CID 66080655
6-chloro-2-(2-chloroethyl)-1-(2-methylbutyl)benzimidazole
CID 115471463

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-propylpropanamide?
The IUPAC name of 2-[6-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-propylpropanamide (CID 115471248) is 2-[6-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-propylpropanamide.
What is the SMILES notation for 2-[6-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-propylpropanamide?
The canonical SMILES for 2-[6-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-propylpropanamide is CCCNC(=O)C(C)n1c(CCCl)nc2ccc(Cl)cc21.
What is the InChIKey of 2-[6-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-propylpropanamide?
The InChIKey is XNGPAWRMABJVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c1-3-8-18-15(21)10(2)20-13-9-11(17)4-5-12(13)19-14(20)6-7-16/h4-5,9-10H,3,6-8H2,1-2H3,(H,18,21).
What are the key properties of 2-[6-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-propylpropanamide?
2-[6-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-propylpropanamide has a molecular weight of 328.24 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-propylpropanamide is sourced from PubChem (CID 115471248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).