2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-1H-benzimidazole

C22H18BrClN2O2 — CID 168555036

IUPAC2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-1H-benzimidazole
SMILESCCOc1cc(-c2nc3ccccc3[nH]2)c(Br)cc1OCc1ccccc1Cl
InChIInChI=1S/C22H18BrClN2O2/c1-2-27-20-11-15(22-25-18-9-5-6-10-19(18)26-22)16(23)12-21(20)28-13-14-7-3-4-8-17(14)24/h3-12H,2,13H2,1H3,(H,25,26)
InChIKeyZEZWVAXRIVXETI-UHFFFAOYSA-N
MW457.76 g/mol
LogP6.62
Rot. Bonds6

About 2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-1H-benzimidazole

2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-1H-benzimidazole (PubChem CID 168555036) has the molecular formula C22H18BrClN2O2 and a molecular weight of 457.76 g/mol. Its IUPAC name is 2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-1H-benzimidazole
PubChem CID168555036
Molecular FormulaC22H18BrClN2O2
Molecular Weight457.76 g/mol
Exact Mass456.02
IUPAC Name2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-1H-benzimidazole
SMILESCCOc1cc(-c2nc3ccccc3[nH]2)c(Br)cc1OCc1ccccc1Cl
InChIInChI=1S/C22H18BrClN2O2/c1-2-27-20-11-15(22-25-18-9-5-6-10-19(18)26-22)16(23)12-21(20)28-13-14-7-3-4-8-17(14)24/h3-12H,2,13H2,1H3,(H,25,26)
InChIKeyZEZWVAXRIVXETI-UHFFFAOYSA-N
XLogP6.62
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.76
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-1H-benzimidazole
CID 168555028
ethyl 2-[4-(1H-benzimidazol-2-yl)-5-bromo-2-ethoxyphenoxy]acetate
CID 168555033
2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-1H-benzimidazole
CID 19224191
2-[4-(1H-benzimidazol-2-yl)-5-bromo-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 168555046
N-(1H-benzimidazol-2-ylmethyl)-1-[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methanamine
CID 66538295
2-(3-bromo-5-chloro-4-ethoxyphenyl)-1H-benzimidazole
CID 168554522
2-(2,3-dibromo-5-ethoxy-4-prop-2-enoxyphenyl)-1H-benzimidazole
CID 168555055
2-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554164
N-(1H-benzimidazol-2-ylmethyl)-1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methanamine
CID 66526764
2-(5-bromo-2-ethoxy-3-iodophenyl)-1H-benzimidazole
CID 168555083
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-methoxyaniline
CID 66542093
N-(1H-benzimidazol-2-yl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 27649615

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-1H-benzimidazole?
The IUPAC name of 2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-1H-benzimidazole (CID 168555036) is 2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-1H-benzimidazole is CCOc1cc(-c2nc3ccccc3[nH]2)c(Br)cc1OCc1ccccc1Cl.
What is the InChIKey of 2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-1H-benzimidazole?
The InChIKey is ZEZWVAXRIVXETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrClN2O2/c1-2-27-20-11-15(22-25-18-9-5-6-10-19(18)26-22)16(23)12-21(20)28-13-14-7-3-4-8-17(14)24/h3-12H,2,13H2,1H3,(H,25,26).
What are the key properties of 2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-1H-benzimidazole?
2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-1H-benzimidazole has a molecular weight of 457.76 g/mol, XLogP of 6.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-1H-benzimidazole is sourced from PubChem (CID 168555036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).