N-(1H-benzimidazol-2-yl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide

C19H20BrN3O3 — CID 27649615

IUPACN-(1H-benzimidazol-2-yl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
SMILESCCOc1cc(Br)c(CC(=O)Nc2nc3ccccc3[nH]2)cc1OCC
InChIInChI=1S/C19H20BrN3O3/c1-3-25-16-9-12(13(20)11-17(16)26-4-2)10-18(24)23-19-21-14-7-5-6-8-15(14)22-19/h5-9,11H,3-4,10H2,1-2H3,(H2,21,22,23,24)
InChIKeyZHCHESUWVKZQHD-UHFFFAOYSA-N
MW418.29 g/mol
LogP4.30
Rot. Bonds7

About N-(1H-benzimidazol-2-yl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide

N-(1H-benzimidazol-2-yl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide (PubChem CID 27649615) has the molecular formula C19H20BrN3O3 and a molecular weight of 418.29 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
PubChem CID27649615
Molecular FormulaC19H20BrN3O3
Molecular Weight418.29 g/mol
Exact Mass417.07
IUPAC NameN-(1H-benzimidazol-2-yl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
SMILESCCOc1cc(Br)c(CC(=O)Nc2nc3ccccc3[nH]2)cc1OCC
InChIInChI=1S/C19H20BrN3O3/c1-3-25-16-9-12(13(20)11-17(16)26-4-2)10-18(24)23-19-21-14-7-5-6-8-15(14)22-19/h5-9,11H,3-4,10H2,1-2H3,(H2,21,22,23,24)
InChIKeyZHCHESUWVKZQHD-UHFFFAOYSA-N
XLogP4.30
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.29
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-yl)-3-(2-ethoxyphenyl)propanamide
CID 35808218
N-(1H-benzimidazol-2-yl)-3-ethoxynaphthalene-2-carboxamide
CID 24505737
N-(1H-benzimidazol-2-yl)-2-(2-hydroxyphenoxy)acetamide
CID 60629393
N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide
CID 63184543
N-(1H-benzimidazol-2-yl)-2-(3-methylphenyl)acetamide
CID 62873665
2-(2-bromo-4,5-diethoxyphenyl)-N-quinolin-8-ylacetamide
CID 27676108
N-(1H-benzimidazol-2-ylmethyl)-1-[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methanamine
CID 66538295
N-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)acetamide
CID 2678955
2-(2-bromo-4,5-diethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 55537078
N-(1H-benzimidazol-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 2553894
2-[4-(1H-benzimidazol-2-yl)-5-bromo-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 168555046
N-(1H-benzimidazol-2-yl)-6-ethoxypyrimidine-4-carboxamide
CID 91816283

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide (CID 27649615) is N-(1H-benzimidazol-2-yl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide is CCOc1cc(Br)c(CC(=O)Nc2nc3ccccc3[nH]2)cc1OCC.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide?
The InChIKey is ZHCHESUWVKZQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O3/c1-3-25-16-9-12(13(20)11-17(16)26-4-2)10-18(24)23-19-21-14-7-5-6-8-15(14)22-19/h5-9,11H,3-4,10H2,1-2H3,(H2,21,22,23,24).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide?
N-(1H-benzimidazol-2-yl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide has a molecular weight of 418.29 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide is sourced from PubChem (CID 27649615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).