N-[2-[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]acetamide

C13H15BrClN3O — CID 43667678

IUPACN-[2-[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1c(CCCl)nc2cc(Br)ccc21
InChIInChI=1S/C13H15BrClN3O/c1-9(19)16-6-7-18-12-3-2-10(14)8-11(12)17-13(18)4-5-15/h2-3,8H,4-7H2,1H3,(H,16,19)
InChIKeyKKRVXJZLJKHABO-UHFFFAOYSA-N
MW344.64 g/mol
LogP2.72
Rot. Bonds5

About N-[2-[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]acetamide

N-[2-[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]acetamide (PubChem CID 43667678) has the molecular formula C13H15BrClN3O and a molecular weight of 344.64 g/mol. Its IUPAC name is N-[2-[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]acetamide
PubChem CID43667678
Molecular FormulaC13H15BrClN3O
Molecular Weight344.64 g/mol
Exact Mass343.01
IUPAC NameN-[2-[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1c(CCCl)nc2cc(Br)ccc21
InChIInChI=1S/C13H15BrClN3O/c1-9(19)16-6-7-18-12-3-2-10(14)8-11(12)17-13(18)4-5-15/h2-3,8H,4-7H2,1H3,(H,16,19)
InChIKeyKKRVXJZLJKHABO-UHFFFAOYSA-N
XLogP2.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.64
LogP ≤ 52.72
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

N-[2-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]acetamide
CID 43667677
1-(2-acetamidoethyl)-2-propylbenzimidazole-5-carboxylic acid
CID 43552983
ethyl 2-[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]acetate
CID 60810829
5-bromo-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole
CID 43666409
3-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 65346418
N-[2-[2-(2-chloroethyl)-4-fluorobenzimidazol-1-yl]ethyl]acetamide
CID 60788652
5-bromo-1-[(4-bromophenyl)methyl]-2-(2-chloroethyl)benzimidazole
CID 60780183
5-bromo-2-(2-chloroethyl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazole
CID 63330507
5-bromo-2-(2-chloroethyl)-1-(3-ethoxypropyl)benzimidazole
CID 43666524
N-[2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]ethyl]acetamide
CID 62376522
5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479132
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974153

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]acetamide (CID 43667678) is N-[2-[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]acetamide is CC(=O)NCCn1c(CCCl)nc2cc(Br)ccc21.
What is the InChIKey of N-[2-[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]acetamide?
The InChIKey is KKRVXJZLJKHABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3O/c1-9(19)16-6-7-18-12-3-2-10(14)8-11(12)17-13(18)4-5-15/h2-3,8H,4-7H2,1H3,(H,16,19).
What are the key properties of N-[2-[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]acetamide?
N-[2-[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]acetamide has a molecular weight of 344.64 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 43667678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).