2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetamide

C16H14BrN3O3 — CID 168555021

IUPAC2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetamide
SMILESCOc1cc(-c2nc3ccccc3[nH]2)cc(Br)c1OCC(N)=O
InChIInChI=1S/C16H14BrN3O3/c1-22-13-7-9(6-10(17)15(13)23-8-14(18)21)16-19-11-4-2-3-5-12(11)20-16/h2-7H,8H2,1H3,(H2,18,21)(H,19,20)
InChIKeyWSDYTHDRYMWWAM-UHFFFAOYSA-N
MW376.21 g/mol
LogP2.87
Rot. Bonds5

About 2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetamide

2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetamide (PubChem CID 168555021) has the molecular formula C16H14BrN3O3 and a molecular weight of 376.21 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetamide
PubChem CID168555021
Molecular FormulaC16H14BrN3O3
Molecular Weight376.21 g/mol
Exact Mass375.02
IUPAC Name2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetamide
SMILESCOc1cc(-c2nc3ccccc3[nH]2)cc(Br)c1OCC(N)=O
InChIInChI=1S/C16H14BrN3O3/c1-22-13-7-9(6-10(17)15(13)23-8-14(18)21)16-19-11-4-2-3-5-12(11)20-16/h2-7H,8H2,1H3,(H2,18,21)(H,19,20)
InChIKeyWSDYTHDRYMWWAM-UHFFFAOYSA-N
XLogP2.87
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetate
CID 168555121
[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenyl] acetate
CID 168554773
2-(3-bromo-4-hexoxy-5-methoxyphenyl)-1H-benzimidazole
CID 19224134
2-[2-bromo-6-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid
CID 135402375
methyl 2-[4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenoxy]acetate
CID 168555138
2-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 167970291
2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole
CID 110535118
2-[2-bromo-6-methoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 19224692
2-(3-fluoro-4,5-dimethoxyphenyl)-1H-benzimidazole
CID 168555207
2-(3-bromo-5-chloro-4-ethoxyphenyl)-1H-benzimidazole
CID 168554522
2-(3-bromo-4-butoxy-5-methoxyphenyl)-6-methyl-1H-benzimidazole
CID 19224673
2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide
CID 168554153

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetamide (CID 168555021) is 2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetamide is COc1cc(-c2nc3ccccc3[nH]2)cc(Br)c1OCC(N)=O.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetamide?
The InChIKey is WSDYTHDRYMWWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O3/c1-22-13-7-9(6-10(17)15(13)23-8-14(18)21)16-19-11-4-2-3-5-12(11)20-16/h2-7H,8H2,1H3,(H2,18,21)(H,19,20).
What are the key properties of 2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetamide?
2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetamide has a molecular weight of 376.21 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetamide is sourced from PubChem (CID 168555021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).