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

C16H16N4O — CID 43376196

IUPACN-(2-amino-4-methylphenyl)-2-(benzimidazol-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc3ccccc32)c(N)c1
InChIInChI=1S/C16H16N4O/c1-11-6-7-13(12(17)8-11)19-16(21)9-20-10-18-14-4-2-3-5-15(14)20/h2-8,10H,9,17H2,1H3,(H,19,21)
InChIKeyGVUHHVVPXOWABL-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.57
Rot. Bonds3

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

N-(2-amino-4-methylphenyl)-2-(benzimidazol-1-yl)acetamide (PubChem CID 43376196) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-2-(benzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-2-(benzimidazol-1-yl)acetamide
PubChem CID43376196
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(2-amino-4-methylphenyl)-2-(benzimidazol-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc3ccccc32)c(N)c1
InChIInChI=1S/C16H16N4O/c1-11-6-7-13(12(17)8-11)19-16(21)9-20-10-18-14-4-2-3-5-15(14)20/h2-8,10H,9,17H2,1H3,(H,19,21)
InChIKeyGVUHHVVPXOWABL-UHFFFAOYSA-N
XLogP2.57
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-2-(benzimidazol-1-yl)acetamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-2-(benzimidazol-1-yl)acetamide (CID 43376196) is N-(2-amino-4-methylphenyl)-2-(benzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-2-(benzimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-2-(benzimidazol-1-yl)acetamide is Cc1ccc(NC(=O)Cn2cnc3ccccc32)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-2-(benzimidazol-1-yl)acetamide?
The InChIKey is GVUHHVVPXOWABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-6-7-13(12(17)8-11)19-16(21)9-20-10-18-14-4-2-3-5-15(14)20/h2-8,10H,9,17H2,1H3,(H,19,21).
What are the key properties of N-(2-amino-4-methylphenyl)-2-(benzimidazol-1-yl)acetamide?
N-(2-amino-4-methylphenyl)-2-(benzimidazol-1-yl)acetamide has a molecular weight of 280.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-2-(benzimidazol-1-yl)acetamide is sourced from PubChem (CID 43376196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).