5-bromo-2-(2-chloroethyl)-1-(3-ethoxypropyl)benzimidazole

C14H18BrClN2O — CID 43666524

IUPAC5-bromo-2-(2-chloroethyl)-1-(3-ethoxypropyl)benzimidazole
SMILESCCOCCCn1c(CCCl)nc2cc(Br)ccc21
InChIInChI=1S/C14H18BrClN2O/c1-2-19-9-3-8-18-13-5-4-11(15)10-12(13)17-14(18)6-7-16/h4-5,10H,2-3,6-9H2,1H3
InChIKeySUYFHGPELYCAOZ-UHFFFAOYSA-N
MW345.67 g/mol
LogP4.01
Rot. Bonds7

About 5-bromo-2-(2-chloroethyl)-1-(3-ethoxypropyl)benzimidazole

5-bromo-2-(2-chloroethyl)-1-(3-ethoxypropyl)benzimidazole (PubChem CID 43666524) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is 5-bromo-2-(2-chloroethyl)-1-(3-ethoxypropyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(2-chloroethyl)-1-(3-ethoxypropyl)benzimidazole
PubChem CID43666524
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC Name5-bromo-2-(2-chloroethyl)-1-(3-ethoxypropyl)benzimidazole
SMILESCCOCCCn1c(CCCl)nc2cc(Br)ccc21
InChIInChI=1S/C14H18BrClN2O/c1-2-19-9-3-8-18-13-5-4-11(15)10-12(13)17-14(18)6-7-16/h4-5,10H,2-3,6-9H2,1H3
InChIKeySUYFHGPELYCAOZ-UHFFFAOYSA-N
XLogP4.01
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-bromo-2-(chloromethyl)-1-(3-ethoxypropyl)benzimidazole
CID 43660258
6-bromo-2-(2-chloroethyl)-3-(3-ethoxypropyl)imidazo[4,5-b]pyridine
CID 79302095
2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine
CID 46308773
5-bromo-1-butyl-2-(2-methoxyethyl)benzimidazole
CID 22730799
ethyl 2-[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]acetate
CID 60810829
5-bromo-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole
CID 43666409
5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479132
5-bromo-1-[(4-bromophenyl)methyl]-2-(2-chloroethyl)benzimidazole
CID 60780183
2-(2-chloroethyl)-1-(3-ethoxypropyl)-7-methylbenzimidazole
CID 115552740
5-bromo-2-(2-chloroethyl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazole
CID 63330507
[5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol
CID 62589251
5-bromo-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole
CID 107817166

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chloroethyl)-1-(3-ethoxypropyl)benzimidazole?
The IUPAC name of 5-bromo-2-(2-chloroethyl)-1-(3-ethoxypropyl)benzimidazole (CID 43666524) is 5-bromo-2-(2-chloroethyl)-1-(3-ethoxypropyl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(2-chloroethyl)-1-(3-ethoxypropyl)benzimidazole?
The canonical SMILES for 5-bromo-2-(2-chloroethyl)-1-(3-ethoxypropyl)benzimidazole is CCOCCCn1c(CCCl)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-2-(2-chloroethyl)-1-(3-ethoxypropyl)benzimidazole?
The InChIKey is SUYFHGPELYCAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c1-2-19-9-3-8-18-13-5-4-11(15)10-12(13)17-14(18)6-7-16/h4-5,10H,2-3,6-9H2,1H3.
What are the key properties of 5-bromo-2-(2-chloroethyl)-1-(3-ethoxypropyl)benzimidazole?
5-bromo-2-(2-chloroethyl)-1-(3-ethoxypropyl)benzimidazole has a molecular weight of 345.67 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-chloroethyl)-1-(3-ethoxypropyl)benzimidazole is sourced from PubChem (CID 43666524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).