3-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide

C20H13FN4O4 — CID 11589237

IUPAC3-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1)c1cccc(F)c1
InChIInChI=1S/C20H13FN4O4/c21-14-3-1-2-13(10-14)20(26)22-15-6-4-12(5-7-15)19-23-17-9-8-16(25(28)29)11-18(17)24(19)27/h1-11,27H,(H,22,26)
InChIKeyPBWVZKLSAJFJFB-UHFFFAOYSA-N
MW392.35 g/mol
LogP4.24
Rot. Bonds4

About 3-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide

3-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide (PubChem CID 11589237) has the molecular formula C20H13FN4O4 and a molecular weight of 392.35 g/mol. Its IUPAC name is 3-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
PubChem CID11589237
Molecular FormulaC20H13FN4O4
Molecular Weight392.35 g/mol
Exact Mass392.09
IUPAC Name3-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1)c1cccc(F)c1
InChIInChI=1S/C20H13FN4O4/c21-14-3-1-2-13(10-14)20(26)22-15-6-4-12(5-7-15)19-23-17-9-8-16(25(28)29)11-18(17)24(19)27/h1-11,27H,(H,22,26)
InChIKeyPBWVZKLSAJFJFB-UHFFFAOYSA-N
XLogP4.24
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.35
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
CID 11718063
4-cyano-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
CID 11632703
N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-piperidin-1-ylpyridine-3-carboxamide
CID 46945600
N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-morpholin-4-ylpyridine-2-carboxamide
CID 46945604
1-hydroxy-2-(4-methylphenyl)-6-nitrobenzimidazole
CID 59754379
N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-phenylpropanamide
CID 11567570
N-[2-ethyl-4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-4-fluorobenzamide
CID 25059283
N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 73024051
2-(4-chlorophenyl)-1-hydroxy-6-nitrobenzimidazole
CID 1476973
(E)-3-(furan-2-yl)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]prop-2-enamide
CID 11523955
1-hydroxy-6-nitro-2-pyridin-4-ylbenzimidazole
CID 59754587
N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide
CID 91378305

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide (CID 11589237) is 3-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide is O=C(Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide?
The InChIKey is PBWVZKLSAJFJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4O4/c21-14-3-1-2-13(10-14)20(26)22-15-6-4-12(5-7-15)19-23-17-9-8-16(25(28)29)11-18(17)24(19)27/h1-11,27H,(H,22,26).
What are the key properties of 3-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide?
3-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide has a molecular weight of 392.35 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 11589237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).