4-amino-N-[3-(1H-imidazol-2-yl)phenyl]benzamide

C16H14N4O — CID 110474517

IUPAC4-amino-N-[3-(1H-imidazol-2-yl)phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)cc1
InChIInChI=1S/C16H14N4O/c17-13-6-4-11(5-7-13)16(21)20-14-3-1-2-12(10-14)15-18-8-9-19-15/h1-10H,17H2,(H,18,19)(H,20,21)
InChIKeyRMNYPIJDFAITJV-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.91
Rot. Bonds3

About 4-amino-N-[3-(1H-imidazol-2-yl)phenyl]benzamide

4-amino-N-[3-(1H-imidazol-2-yl)phenyl]benzamide (PubChem CID 110474517) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-amino-N-[3-(1H-imidazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[3-(1H-imidazol-2-yl)phenyl]benzamide
PubChem CID110474517
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name4-amino-N-[3-(1H-imidazol-2-yl)phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)cc1
InChIInChI=1S/C16H14N4O/c17-13-6-4-11(5-7-13)16(21)20-14-3-1-2-12(10-14)15-18-8-9-19-15/h1-10H,17H2,(H,18,19)(H,20,21)
InChIKeyRMNYPIJDFAITJV-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

3-hydroxy-N-[3-(1H-imidazol-2-yl)phenyl]benzamide
CID 110472407
N-[3-(1H-imidazol-2-yl)phenyl]pyridine-2-carboxamide
CID 110744210
2-amino-N-[3-(1H-imidazol-2-yl)phenyl]acetamide
CID 110470050
4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutanoic acid
CID 110471079
N-[4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutyl]benzamide
CID 56826380
phenyl N-[3-(1H-imidazol-2-yl)phenyl]carbamate
CID 110726422
1-[3-(1H-imidazol-2-yl)phenyl]-3-propylurea
CID 110748430
4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 155404523
N-[3-(1H-imidazol-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119871944
3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
CID 121331562
N-[4-(1H-imidazol-2-yl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 60613400
cis-methyl (1R,2S)-2-[[3-(1H-imidazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylate
CID 96504504

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(1H-imidazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-amino-N-[3-(1H-imidazol-2-yl)phenyl]benzamide (CID 110474517) is 4-amino-N-[3-(1H-imidazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-amino-N-[3-(1H-imidazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-amino-N-[3-(1H-imidazol-2-yl)phenyl]benzamide is Nc1ccc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)cc1.
What is the InChIKey of 4-amino-N-[3-(1H-imidazol-2-yl)phenyl]benzamide?
The InChIKey is RMNYPIJDFAITJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-13-6-4-11(5-7-13)16(21)20-14-3-1-2-12(10-14)15-18-8-9-19-15/h1-10H,17H2,(H,18,19)(H,20,21).
What are the key properties of 4-amino-N-[3-(1H-imidazol-2-yl)phenyl]benzamide?
4-amino-N-[3-(1H-imidazol-2-yl)phenyl]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 4-amino-N-[3-(1H-imidazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 110474517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).