2-[2-(3-bromophenyl)benzimidazol-1-yl]-N-propylacetamide

C18H18BrN3O — CID 17032863

IUPAC2-[2-(3-bromophenyl)benzimidazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(-c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C18H18BrN3O/c1-2-10-20-17(23)12-22-16-9-4-3-8-15(16)21-18(22)13-6-5-7-14(19)11-13/h3-9,11H,2,10,12H2,1H3,(H,20,23)
InChIKeyIDKKXDYXHUQLNN-UHFFFAOYSA-N
MW372.27 g/mol
LogP3.99
Rot. Bonds5

About 2-[2-(3-bromophenyl)benzimidazol-1-yl]-N-propylacetamide

2-[2-(3-bromophenyl)benzimidazol-1-yl]-N-propylacetamide (PubChem CID 17032863) has the molecular formula C18H18BrN3O and a molecular weight of 372.27 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)benzimidazol-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)benzimidazol-1-yl]-N-propylacetamide
PubChem CID17032863
Molecular FormulaC18H18BrN3O
Molecular Weight372.27 g/mol
Exact Mass371.06
IUPAC Name2-[2-(3-bromophenyl)benzimidazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(-c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C18H18BrN3O/c1-2-10-20-17(23)12-22-16-9-4-3-8-15(16)21-18(22)13-6-5-7-14(19)11-13/h3-9,11H,2,10,12H2,1H3,(H,20,23)
InChIKeyIDKKXDYXHUQLNN-UHFFFAOYSA-N
XLogP3.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17032912
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17032961
2-[2-(3-bromophenyl)benzimidazol-1-yl]-N,N-dipropylacetamide
CID 17001917
2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17033010
2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide
CID 17033254
N-ethyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032718
N-benzyl-2-[2-(4-bromophenyl)benzimidazol-1-yl]acetamide
CID 17033248
2-(2-phenylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17032674
2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide
CID 17028756
2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
CID 4624826
2-(3-bromophenyl)-1-[(2-methylphenyl)methyl]benzimidazole
CID 4202224
2-(3-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole
CID 17001838

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)benzimidazol-1-yl]-N-propylacetamide?
The IUPAC name of 2-[2-(3-bromophenyl)benzimidazol-1-yl]-N-propylacetamide (CID 17032863) is 2-[2-(3-bromophenyl)benzimidazol-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[2-(3-bromophenyl)benzimidazol-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[2-(3-bromophenyl)benzimidazol-1-yl]-N-propylacetamide is CCCNC(=O)Cn1c(-c2cccc(Br)c2)nc2ccccc21.
What is the InChIKey of 2-[2-(3-bromophenyl)benzimidazol-1-yl]-N-propylacetamide?
The InChIKey is IDKKXDYXHUQLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O/c1-2-10-20-17(23)12-22-16-9-4-3-8-15(16)21-18(22)13-6-5-7-14(19)11-13/h3-9,11H,2,10,12H2,1H3,(H,20,23).
What are the key properties of 2-[2-(3-bromophenyl)benzimidazol-1-yl]-N-propylacetamide?
2-[2-(3-bromophenyl)benzimidazol-1-yl]-N-propylacetamide has a molecular weight of 372.27 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)benzimidazol-1-yl]-N-propylacetamide is sourced from PubChem (CID 17032863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).