2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide

C17H16BrN3O — CID 17033254

IUPAC2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1c(-c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C17H16BrN3O/c1-2-19-16(22)11-21-15-6-4-3-5-14(15)20-17(21)12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3,(H,19,22)
InChIKeyPJIIWRYRRRLOHA-UHFFFAOYSA-N
MW358.24 g/mol
LogP3.60
Rot. Bonds4

About 2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide

2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide (PubChem CID 17033254) has the molecular formula C17H16BrN3O and a molecular weight of 358.24 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide
PubChem CID17033254
Molecular FormulaC17H16BrN3O
Molecular Weight358.24 g/mol
Exact Mass357.05
IUPAC Name2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1c(-c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C17H16BrN3O/c1-2-19-16(22)11-21-15-6-4-3-5-14(15)20-17(21)12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3,(H,19,22)
InChIKeyPJIIWRYRRRLOHA-UHFFFAOYSA-N
XLogP3.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032718
N-benzyl-2-[2-(4-bromophenyl)benzimidazol-1-yl]acetamide
CID 17033248
2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17033250
2-[2-(3-bromophenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17032863
2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17033010
2-(4-bromophenyl)-1-pentylbenzimidazole
CID 17001128
2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole
CID 17001122
2-(4-bromophenyl)-1-decylbenzimidazole
CID 17001133
N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028648
2-(4-bromophenyl)-1-undecylbenzimidazole
CID 17001134
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(2-methylpropyl)acetamide
CID 84571354
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide
CID 17033120

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide (CID 17033254) is 2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide is CCNC(=O)Cn1c(-c2ccc(Br)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide?
The InChIKey is PJIIWRYRRRLOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O/c1-2-19-16(22)11-21-15-6-4-3-5-14(15)20-17(21)12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3,(H,19,22).
What are the key properties of 2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide?
2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide has a molecular weight of 358.24 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide is sourced from PubChem (CID 17033254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).