N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide

C16H16N4O — CID 16781831

IUPACN-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide
SMILESNc1ccc(NC(=O)CCn2cnc3ccccc32)cc1
InChIInChI=1S/C16H16N4O/c17-12-5-7-13(8-6-12)19-16(21)9-10-20-11-18-14-3-1-2-4-15(14)20/h1-8,11H,9-10,17H2,(H,19,21)
InChIKeyWOMUZBIBJVWREM-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.65
Rot. Bonds4

About N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide

N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide (PubChem CID 16781831) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide
PubChem CID16781831
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide
SMILESNc1ccc(NC(=O)CCn2cnc3ccccc32)cc1
InChIInChI=1S/C16H16N4O/c17-12-5-7-13(8-6-12)19-16(21)9-10-20-11-18-14-3-1-2-4-15(14)20/h1-8,11H,9-10,17H2,(H,19,21)
InChIKeyWOMUZBIBJVWREM-UHFFFAOYSA-N
XLogP2.65
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 36840698
N-(5-amino-2-fluorophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16785328
3-(benzimidazol-1-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]propanamide
CID 60553645
3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 36842808
3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide
CID 37294247
N-(4-aminophenyl)-3-indol-1-ylpropanamide
CID 43247263
3-(benzimidazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 25390413
2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid
CID 63914686
3-(benzimidazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 63819900
3-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644
3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 25349690
methyl 2-[3-(benzimidazol-1-yl)propanoylamino]propanoate
CID 60675736

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide?
The IUPAC name of N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide (CID 16781831) is N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide?
The canonical SMILES for N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide is Nc1ccc(NC(=O)CCn2cnc3ccccc32)cc1.
What is the InChIKey of N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide?
The InChIKey is WOMUZBIBJVWREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-12-5-7-13(8-6-12)19-16(21)9-10-20-11-18-14-3-1-2-4-15(14)20/h1-8,11H,9-10,17H2,(H,19,21).
What are the key properties of N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide?
N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide has a molecular weight of 280.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide is sourced from PubChem (CID 16781831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).