N-[5-(3-aminophenyl)-1H-imidazol-2-yl]benzamide

C16H14N4O — CID 154687118

IUPACN-[5-(3-aminophenyl)-1H-imidazol-2-yl]benzamide
SMILESNc1cccc(-c2cnc(NC(=O)c3ccccc3)[nH]2)c1
InChIInChI=1S/C16H14N4O/c17-13-8-4-7-12(9-13)14-10-18-16(19-14)20-15(21)11-5-2-1-3-6-11/h1-10H,17H2,(H2,18,19,20,21)
InChIKeyPLHXEKLIBHCEMM-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.91
Rot. Bonds3

About N-[5-(3-aminophenyl)-1H-imidazol-2-yl]benzamide

N-[5-(3-aminophenyl)-1H-imidazol-2-yl]benzamide (PubChem CID 154687118) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[5-(3-aminophenyl)-1H-imidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(3-aminophenyl)-1H-imidazol-2-yl]benzamide
PubChem CID154687118
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-[5-(3-aminophenyl)-1H-imidazol-2-yl]benzamide
SMILESNc1cccc(-c2cnc(NC(=O)c3ccccc3)[nH]2)c1
InChIInChI=1S/C16H14N4O/c17-13-8-4-7-12(9-13)14-10-18-16(19-14)20-15(21)11-5-2-1-3-6-11/h1-10H,17H2,(H2,18,19,20,21)
InChIKeyPLHXEKLIBHCEMM-UHFFFAOYSA-N
XLogP2.91
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[3-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-1H-imidazol-2-yl]benzamide
CID 154687110
methyl N-(5-phenyl-1H-imidazol-2-yl)carbamate
CID 141231545
3-amino-N-(4-phenylphenyl)benzamide
CID 757806
N-[5-(3-bromophenyl)-1H-imidazol-2-yl]thiophene-2-carboxamide
CID 99797923
3-amino-N-(1H-benzimidazol-2-yl)benzamide
CID 62060005
4-chloro-N-[3-(2-phenyl-1H-imidazol-5-yl)phenyl]benzamide;hydrochloride
CID 162317763
N-(5-phenylpyrimidin-2-yl)benzamide
CID 71415986
N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide
CID 56930905
1,3-diphenyl-N-(5-phenyl-1H-imidazol-2-yl)pyrazole-4-carboxamide
CID 139226268
N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide
CID 56931422
N-[5-(3-acetamidophenyl)-1H-pyrrol-2-yl]benzamide
CID 159322428
N-(5-amino-2-pyridinyl)benzamide;methane
CID 158297207

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminophenyl)-1H-imidazol-2-yl]benzamide?
The IUPAC name of N-[5-(3-aminophenyl)-1H-imidazol-2-yl]benzamide (CID 154687118) is N-[5-(3-aminophenyl)-1H-imidazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(3-aminophenyl)-1H-imidazol-2-yl]benzamide?
The canonical SMILES for N-[5-(3-aminophenyl)-1H-imidazol-2-yl]benzamide is Nc1cccc(-c2cnc(NC(=O)c3ccccc3)[nH]2)c1.
What is the InChIKey of N-[5-(3-aminophenyl)-1H-imidazol-2-yl]benzamide?
The InChIKey is PLHXEKLIBHCEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-13-8-4-7-12(9-13)14-10-18-16(19-14)20-15(21)11-5-2-1-3-6-11/h1-10H,17H2,(H2,18,19,20,21).
What are the key properties of N-[5-(3-aminophenyl)-1H-imidazol-2-yl]benzamide?
N-[5-(3-aminophenyl)-1H-imidazol-2-yl]benzamide has a molecular weight of 278.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminophenyl)-1H-imidazol-2-yl]benzamide is sourced from PubChem (CID 154687118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).