4-imidazol-1-yl-3-nitro-N-(2-phenylphenyl)benzamide

C22H16N4O3 — CID 39286914

IUPAC4-imidazol-1-yl-3-nitro-N-(2-phenylphenyl)benzamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C22H16N4O3/c27-22(24-19-9-5-4-8-18(19)16-6-2-1-3-7-16)17-10-11-20(21(14-17)26(28)29)25-13-12-23-15-25/h1-15H,(H,24,27)
InChIKeyNMMIVUNJYSXEQR-UHFFFAOYSA-N
MW384.40 g/mol
LogP4.70
Rot. Bonds5

About 4-imidazol-1-yl-3-nitro-N-(2-phenylphenyl)benzamide

4-imidazol-1-yl-3-nitro-N-(2-phenylphenyl)benzamide (PubChem CID 39286914) has the molecular formula C22H16N4O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is 4-imidazol-1-yl-3-nitro-N-(2-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-3-nitro-N-(2-phenylphenyl)benzamide
PubChem CID39286914
Molecular FormulaC22H16N4O3
Molecular Weight384.40 g/mol
Exact Mass384.12
IUPAC Name4-imidazol-1-yl-3-nitro-N-(2-phenylphenyl)benzamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C22H16N4O3/c27-22(24-19-9-5-4-8-18(19)16-6-2-1-3-7-16)17-10-11-20(21(14-17)26(28)29)25-13-12-23-15-25/h1-15H,(H,24,27)
InChIKeyNMMIVUNJYSXEQR-UHFFFAOYSA-N
XLogP4.70
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-imidazol-1-yl-N-naphthalen-1-yl-3-nitrobenzamide
CID 7996640
N-(9H-fluoren-2-yl)-4-imidazol-1-yl-3-nitrobenzamide
CID 39272413
3-[(4-imidazol-1-yl-3-nitrobenzoyl)amino]-N,2-dimethylbenzamide
CID 46454270
N-(4-chloro-2-fluorophenyl)-4-imidazol-1-yl-3-nitrobenzamide
CID 26409874
4-imidazol-1-yl-N-(4-methylphenyl)-3-nitrobenzamide
CID 26086024
N-[2,6-di(propan-2-yl)phenyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 55335183
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-imidazol-1-yl-3-nitrobenzamide
CID 112760807
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 60535989
N-[3-(benzenesulfonylcarbamoyl)phenyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 58874521
N-(4-chloro-2-methoxy-5-methylphenyl)-4-imidazol-1-yl-3-nitrobenzamide
CID 39044462
(2S)-2-[(4-imidazol-1-yl-3-nitrobenzoyl)amino]-3-methylbutanoic acid
CID 119360472
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-imidazol-1-yl-3-nitrobenzamide
CID 26909123

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-3-nitro-N-(2-phenylphenyl)benzamide?
The IUPAC name of 4-imidazol-1-yl-3-nitro-N-(2-phenylphenyl)benzamide (CID 39286914) is 4-imidazol-1-yl-3-nitro-N-(2-phenylphenyl)benzamide.
What is the SMILES notation for 4-imidazol-1-yl-3-nitro-N-(2-phenylphenyl)benzamide?
The canonical SMILES for 4-imidazol-1-yl-3-nitro-N-(2-phenylphenyl)benzamide is O=C(Nc1ccccc1-c1ccccc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-imidazol-1-yl-3-nitro-N-(2-phenylphenyl)benzamide?
The InChIKey is NMMIVUNJYSXEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3/c27-22(24-19-9-5-4-8-18(19)16-6-2-1-3-7-16)17-10-11-20(21(14-17)26(28)29)25-13-12-23-15-25/h1-15H,(H,24,27).
What are the key properties of 4-imidazol-1-yl-3-nitro-N-(2-phenylphenyl)benzamide?
4-imidazol-1-yl-3-nitro-N-(2-phenylphenyl)benzamide has a molecular weight of 384.40 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-3-nitro-N-(2-phenylphenyl)benzamide is sourced from PubChem (CID 39286914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).