N-(2-aminophenyl)-4-imidazol-1-ylbenzamide

C16H14N4O — CID 110484015

IUPACN-(2-aminophenyl)-4-imidazol-1-ylbenzamide
SMILESNc1ccccc1NC(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H14N4O/c17-14-3-1-2-4-15(14)19-16(21)12-5-7-13(8-6-12)20-10-9-18-11-20/h1-11H,17H2,(H,19,21)
InChIKeyHPVASMFTDCIIRX-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.71
Rot. Bonds3

About N-(2-aminophenyl)-4-imidazol-1-ylbenzamide

N-(2-aminophenyl)-4-imidazol-1-ylbenzamide (PubChem CID 110484015) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-imidazol-1-ylbenzamide
PubChem CID110484015
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-(2-aminophenyl)-4-imidazol-1-ylbenzamide
SMILESNc1ccccc1NC(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H14N4O/c17-14-3-1-2-4-15(14)19-16(21)12-5-7-13(8-6-12)20-10-9-18-11-20/h1-11H,17H2,(H,19,21)
InChIKeyHPVASMFTDCIIRX-UHFFFAOYSA-N
XLogP2.71
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.71
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

(4-imidazol-1-ylphenyl)methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 11744015
N-(2-imidazol-1-ylphenyl)-4-methylbenzamide
CID 12911544
N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride
CID 23044294
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(1,3-benzothiazol-2-yl)-4-imidazol-1-ylbenzamide
CID 31533716
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
4-imidazol-1-yl-N-(6-methoxy-3-pyridinyl)benzamide
CID 31532934
N-(2-imidazol-1-ylphenyl)-1H-pyrazole-4-carboxamide
CID 60967253
sodium;N-(2-aminophenyl)-4-pyrrolidin-1-ylbenzamide;4H-pyridin-4-ide
CID 145473548
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
[2-(2-methylanilino)-2-oxoethyl] 4-imidazol-1-ylbenzoate
CID 75434284

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-imidazol-1-ylbenzamide?
The IUPAC name of N-(2-aminophenyl)-4-imidazol-1-ylbenzamide (CID 110484015) is N-(2-aminophenyl)-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-(2-aminophenyl)-4-imidazol-1-ylbenzamide is Nc1ccccc1NC(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-imidazol-1-ylbenzamide?
The InChIKey is HPVASMFTDCIIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-14-3-1-2-4-15(14)19-16(21)12-5-7-13(8-6-12)20-10-9-18-11-20/h1-11H,17H2,(H,19,21).
What are the key properties of N-(2-aminophenyl)-4-imidazol-1-ylbenzamide?
N-(2-aminophenyl)-4-imidazol-1-ylbenzamide has a molecular weight of 278.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 110484015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).