2-[2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]ethoxy]acetamide

C12H13BrClN3O2 — CID 106240670

IUPAC2-[2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]ethoxy]acetamide
SMILESNC(=O)COCCn1c(CCl)nc2cc(Br)ccc21
InChIInChI=1S/C12H13BrClN3O2/c13-8-1-2-10-9(5-8)16-12(6-14)17(10)3-4-19-7-11(15)18/h1-2,5H,3-4,6-7H2,(H2,15,18)
InChIKeyHWTRKDNTPIQVHJ-UHFFFAOYSA-N
MW346.61 g/mol
LogP2.04
Rot. Bonds6

About 2-[2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]ethoxy]acetamide

2-[2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]ethoxy]acetamide (PubChem CID 106240670) has the molecular formula C12H13BrClN3O2 and a molecular weight of 346.61 g/mol. Its IUPAC name is 2-[2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]ethoxy]acetamide
PubChem CID106240670
Molecular FormulaC12H13BrClN3O2
Molecular Weight346.61 g/mol
Exact Mass344.99
IUPAC Name2-[2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]ethoxy]acetamide
SMILESNC(=O)COCCn1c(CCl)nc2cc(Br)ccc21
InChIInChI=1S/C12H13BrClN3O2/c13-8-1-2-10-9(5-8)16-12(6-14)17(10)3-4-19-7-11(15)18/h1-2,5H,3-4,6-7H2,(H2,15,18)
InChIKeyHWTRKDNTPIQVHJ-UHFFFAOYSA-N
XLogP2.04
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.61
LogP ≤ 52.04
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'}

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Related Compounds

2-[2-[2-(2-chloroethyl)-5-iodobenzimidazol-1-yl]ethoxy]acetamide
CID 106240650
5-bromo-2-(chloromethyl)-1-(3-ethoxypropyl)benzimidazole
CID 43660258
2-[2-[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]ethoxy]acetamide
CID 106240518
2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]-N,N-diethylethanamine
CID 43660318
5-bromo-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole
CID 115326558
2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylacetamide
CID 43661028
2-[2-(2-amino-5-fluorobenzimidazol-1-yl)ethoxy]acetamide
CID 106240033
5-bromo-2-(2-chloroethyl)-1-(3-ethoxypropyl)benzimidazole
CID 43666524
2-[2-(5-bromo-2-sulfanylidene-3H-benzimidazol-1-yl)ethoxy]acetamide
CID 106236013
5-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]pentanamide
CID 106240434
2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide
CID 106240243
2-[2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]ethoxy]acetamide
CID 106240491

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]ethoxy]acetamide?
The IUPAC name of 2-[2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]ethoxy]acetamide (CID 106240670) is 2-[2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]ethoxy]acetamide?
The canonical SMILES for 2-[2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]ethoxy]acetamide is NC(=O)COCCn1c(CCl)nc2cc(Br)ccc21.
What is the InChIKey of 2-[2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]ethoxy]acetamide?
The InChIKey is HWTRKDNTPIQVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3O2/c13-8-1-2-10-9(5-8)16-12(6-14)17(10)3-4-19-7-11(15)18/h1-2,5H,3-4,6-7H2,(H2,15,18).
What are the key properties of 2-[2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]ethoxy]acetamide?
2-[2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]ethoxy]acetamide has a molecular weight of 346.61 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]ethoxy]acetamide is sourced from PubChem (CID 106240670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).