N-(4-amino-2-bromophenyl)-2-(benzimidazol-1-yl)acetamide

C15H13BrN4O — CID 43376194

IUPACN-(4-amino-2-bromophenyl)-2-(benzimidazol-1-yl)acetamide
SMILESNc1ccc(NC(=O)Cn2cnc3ccccc32)c(Br)c1
InChIInChI=1S/C15H13BrN4O/c16-11-7-10(17)5-6-12(11)19-15(21)8-20-9-18-13-3-1-2-4-14(13)20/h1-7,9H,8,17H2,(H,19,21)
InChIKeyROPSXXWKJMAVBJ-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.02
Rot. Bonds3

About N-(4-amino-2-bromophenyl)-2-(benzimidazol-1-yl)acetamide

N-(4-amino-2-bromophenyl)-2-(benzimidazol-1-yl)acetamide (PubChem CID 43376194) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-2-(benzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-2-(benzimidazol-1-yl)acetamide
PubChem CID43376194
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC NameN-(4-amino-2-bromophenyl)-2-(benzimidazol-1-yl)acetamide
SMILESNc1ccc(NC(=O)Cn2cnc3ccccc32)c(Br)c1
InChIInChI=1S/C15H13BrN4O/c16-11-7-10(17)5-6-12(11)19-15(21)8-20-9-18-13-3-1-2-4-14(13)20/h1-7,9H,8,17H2,(H,19,21)
InChIKeyROPSXXWKJMAVBJ-UHFFFAOYSA-N
XLogP3.02
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-methylphenyl)-2-(benzimidazol-1-yl)acetamide
CID 43376196
N-(4-amino-2-bromophenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 43376146
N-(4-amino-2-bromophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66309265
N-(5-amino-2-fluorophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16785328
2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide
CID 70918719
N-(4-amino-2-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43376162
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
2-(benzimidazol-1-yl)-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
CID 6264883
N-(4-amino-2-bromophenyl)-2-(3-cyano-1,2,4-triazol-1-yl)acetamide
CID 62951789
2-(benzimidazol-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 34060886
2-(benzimidazol-1-yl)-N-(3-phenylphenyl)acetamide;hydrochloride
CID 66899593
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 3919507

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-2-(benzimidazol-1-yl)acetamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-2-(benzimidazol-1-yl)acetamide (CID 43376194) is N-(4-amino-2-bromophenyl)-2-(benzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-2-(benzimidazol-1-yl)acetamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-2-(benzimidazol-1-yl)acetamide is Nc1ccc(NC(=O)Cn2cnc3ccccc32)c(Br)c1.
What is the InChIKey of N-(4-amino-2-bromophenyl)-2-(benzimidazol-1-yl)acetamide?
The InChIKey is ROPSXXWKJMAVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c16-11-7-10(17)5-6-12(11)19-15(21)8-20-9-18-13-3-1-2-4-14(13)20/h1-7,9H,8,17H2,(H,19,21).
What are the key properties of N-(4-amino-2-bromophenyl)-2-(benzimidazol-1-yl)acetamide?
N-(4-amino-2-bromophenyl)-2-(benzimidazol-1-yl)acetamide has a molecular weight of 345.20 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)-2-(benzimidazol-1-yl)acetamide is sourced from PubChem (CID 43376194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).