2-(7-bromobenzimidazol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide

C17H16BrN3O3 — CID 11440680

IUPAC2-(7-bromobenzimidazol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2cnc3cccc(Br)c32)cc(OC)c1
InChIInChI=1S/C17H16BrN3O3/c1-23-12-6-11(7-13(8-12)24-2)20-16(22)9-21-10-19-15-5-3-4-14(18)17(15)21/h3-8,10H,9H2,1-2H3,(H,20,22)
InChIKeyIMOXIHQVEAJYAD-UHFFFAOYSA-N
MW390.24 g/mol
LogP3.45
Rot. Bonds5

About 2-(7-bromobenzimidazol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide

2-(7-bromobenzimidazol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide (PubChem CID 11440680) has the molecular formula C17H16BrN3O3 and a molecular weight of 390.24 g/mol. Its IUPAC name is 2-(7-bromobenzimidazol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(7-bromobenzimidazol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide
PubChem CID11440680
Molecular FormulaC17H16BrN3O3
Molecular Weight390.24 g/mol
Exact Mass389.04
IUPAC Name2-(7-bromobenzimidazol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2cnc3cccc(Br)c32)cc(OC)c1
InChIInChI=1S/C17H16BrN3O3/c1-23-12-6-11(7-13(8-12)24-2)20-16(22)9-21-10-19-15-5-3-4-14(18)17(15)21/h3-8,10H,9H2,1-2H3,(H,20,22)
InChIKeyIMOXIHQVEAJYAD-UHFFFAOYSA-N
XLogP3.45
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methylbenzimidazole-4-carboxamide
CID 11588709
N-(3,5-dimethoxyphenyl)-2-(7-ethynylbenzimidazol-1-yl)acetamide
CID 11544556
3-[2-[3-methoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]benzimidazole-4-carboxylic acid
CID 69054095
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
N-[3,5-bis(2-ethoxyethoxy)phenyl]-2-(7-nitrobenzimidazol-1-yl)acetamide
CID 69264166
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 46584174
2-(7-cyanobenzimidazol-1-yl)-N-(4-methoxynaphthalen-2-yl)acetamide
CID 69264751
1-[[2-(benzimidazol-1-yl)acetyl]amino]-3-(3-methoxyphenyl)thiourea
CID 8659494
N-(3,5-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide
CID 71821989
2-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 7741631
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 60911842
2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 92513721

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromobenzimidazol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(7-bromobenzimidazol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide (CID 11440680) is 2-(7-bromobenzimidazol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(7-bromobenzimidazol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(7-bromobenzimidazol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)Cn2cnc3cccc(Br)c32)cc(OC)c1.
What is the InChIKey of 2-(7-bromobenzimidazol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is IMOXIHQVEAJYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3/c1-23-12-6-11(7-13(8-12)24-2)20-16(22)9-21-10-19-15-5-3-4-14(18)17(15)21/h3-8,10H,9H2,1-2H3,(H,20,22).
What are the key properties of 2-(7-bromobenzimidazol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide?
2-(7-bromobenzimidazol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 390.24 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromobenzimidazol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 11440680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).