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

C22H18BrN3O — CID 17033248

IUPACN-benzyl-2-[2-(4-bromophenyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2ccc(Br)cc2)nc2ccccc21)NCc1ccccc1
InChIInChI=1S/C22H18BrN3O/c23-18-12-10-17(11-13-18)22-25-19-8-4-5-9-20(19)26(22)15-21(27)24-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,27)
InChIKeyNPMQVGBMUILROP-UHFFFAOYSA-N
MW420.31 g/mol
LogP4.78
Rot. Bonds5

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

N-benzyl-2-[2-(4-bromophenyl)benzimidazol-1-yl]acetamide (PubChem CID 17033248) has the molecular formula C22H18BrN3O and a molecular weight of 420.31 g/mol. Its IUPAC name is N-benzyl-2-[2-(4-bromophenyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(4-bromophenyl)benzimidazol-1-yl]acetamide
PubChem CID17033248
Molecular FormulaC22H18BrN3O
Molecular Weight420.31 g/mol
Exact Mass419.06
IUPAC NameN-benzyl-2-[2-(4-bromophenyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2ccc(Br)cc2)nc2ccccc21)NCc1ccccc1
InChIInChI=1S/C22H18BrN3O/c23-18-12-10-17(11-13-18)22-25-19-8-4-5-9-20(19)26(22)15-21(27)24-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,27)
InChIKeyNPMQVGBMUILROP-UHFFFAOYSA-N
XLogP4.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17033250
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-(furan-2-yl)benzimidazol-1-yl]acetamide
CID 863504
N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028642
N-[(4-methylphenyl)methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 17489928
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
2-[2-(3-bromophenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17032863
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 17033006
2-(2-phenylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17032674
N-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032565
N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 46796492

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(4-bromophenyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[2-(4-bromophenyl)benzimidazol-1-yl]acetamide (CID 17033248) is N-benzyl-2-[2-(4-bromophenyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-(4-bromophenyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[2-(4-bromophenyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(-c2ccc(Br)cc2)nc2ccccc21)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(4-bromophenyl)benzimidazol-1-yl]acetamide?
The InChIKey is NPMQVGBMUILROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O/c23-18-12-10-17(11-13-18)22-25-19-8-4-5-9-20(19)26(22)15-21(27)24-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,27).
What are the key properties of N-benzyl-2-[2-(4-bromophenyl)benzimidazol-1-yl]acetamide?
N-benzyl-2-[2-(4-bromophenyl)benzimidazol-1-yl]acetamide has a molecular weight of 420.31 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(4-bromophenyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17033248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).