N-(9H-fluoren-2-yl)-4-imidazol-1-yl-3-nitrobenzamide

C23H16N4O3 — CID 39272413

IUPACN-(9H-fluoren-2-yl)-4-imidazol-1-yl-3-nitrobenzamide
SMILESO=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C23H16N4O3/c28-23(16-5-8-21(22(13-16)27(29)30)26-10-9-24-14-26)25-18-6-7-20-17(12-18)11-15-3-1-2-4-19(15)20/h1-10,12-14H,11H2,(H,25,28)
InChIKeyPZYFDZDVPPJCEY-UHFFFAOYSA-N
MW396.41 g/mol
LogP4.60
Rot. Bonds4

About N-(9H-fluoren-2-yl)-4-imidazol-1-yl-3-nitrobenzamide

N-(9H-fluoren-2-yl)-4-imidazol-1-yl-3-nitrobenzamide (PubChem CID 39272413) has the molecular formula C23H16N4O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-(9H-fluoren-2-yl)-4-imidazol-1-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(9H-fluoren-2-yl)-4-imidazol-1-yl-3-nitrobenzamide
PubChem CID39272413
Molecular FormulaC23H16N4O3
Molecular Weight396.41 g/mol
Exact Mass396.12
IUPAC NameN-(9H-fluoren-2-yl)-4-imidazol-1-yl-3-nitrobenzamide
SMILESO=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C23H16N4O3/c28-23(16-5-8-21(22(13-16)27(29)30)26-10-9-24-14-26)25-18-6-7-20-17(12-18)11-15-3-1-2-4-19(15)20/h1-10,12-14H,11H2,(H,25,28)
InChIKeyPZYFDZDVPPJCEY-UHFFFAOYSA-N
XLogP4.60
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 54.60
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-(4-methylphenyl)-3-nitrobenzamide
CID 26086024
4-imidazol-1-yl-3-nitro-N-(2-phenylphenyl)benzamide
CID 39286914
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-imidazol-1-yl-3-nitrobenzamide
CID 26909123
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 60535989
4-imidazol-1-yl-N-naphthalen-1-yl-3-nitrobenzamide
CID 7996640
N-[3-(benzenesulfonylcarbamoyl)phenyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 58874521
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 55581027
4-imidazol-1-yl-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-3-nitrobenzamide
CID 55890809
N-(3-chloro-4-propan-2-yloxyphenyl)-4-imidazol-1-yl-3-nitrobenzamide
CID 39410127
N-[2,6-di(propan-2-yl)phenyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 55335183
4-imidazol-1-yl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 5000431
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-imidazol-1-yl-3-nitrobenzamide
CID 112760807

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-2-yl)-4-imidazol-1-yl-3-nitrobenzamide?
The IUPAC name of N-(9H-fluoren-2-yl)-4-imidazol-1-yl-3-nitrobenzamide (CID 39272413) is N-(9H-fluoren-2-yl)-4-imidazol-1-yl-3-nitrobenzamide.
What is the SMILES notation for N-(9H-fluoren-2-yl)-4-imidazol-1-yl-3-nitrobenzamide?
The canonical SMILES for N-(9H-fluoren-2-yl)-4-imidazol-1-yl-3-nitrobenzamide is O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(9H-fluoren-2-yl)-4-imidazol-1-yl-3-nitrobenzamide?
The InChIKey is PZYFDZDVPPJCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O3/c28-23(16-5-8-21(22(13-16)27(29)30)26-10-9-24-14-26)25-18-6-7-20-17(12-18)11-15-3-1-2-4-19(15)20/h1-10,12-14H,11H2,(H,25,28).
What are the key properties of N-(9H-fluoren-2-yl)-4-imidazol-1-yl-3-nitrobenzamide?
N-(9H-fluoren-2-yl)-4-imidazol-1-yl-3-nitrobenzamide has a molecular weight of 396.41 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-2-yl)-4-imidazol-1-yl-3-nitrobenzamide is sourced from PubChem (CID 39272413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).