N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2-fluorobenzamide

C27H18FN3O2 — CID 2204529

IUPACN-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2-fluorobenzamide
SMILESO=C(c1ccccc1)c1ccc2nc(-c3ccc(NC(=O)c4ccccc4F)cc3)[nH]c2c1
InChIInChI=1S/C27H18FN3O2/c28-22-9-5-4-8-21(22)27(33)29-20-13-10-18(11-14-20)26-30-23-15-12-19(16-24(23)31-26)25(32)17-6-2-1-3-7-17/h1-16H,(H,29,33)(H,30,31)
InChIKeyWUPNMIDCYDXGDJ-UHFFFAOYSA-N
MW435.46 g/mol
LogP5.85
Rot. Bonds5

About N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2-fluorobenzamide

N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2-fluorobenzamide (PubChem CID 2204529) has the molecular formula C27H18FN3O2 and a molecular weight of 435.46 g/mol. Its IUPAC name is N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2-fluorobenzamide
PubChem CID2204529
Molecular FormulaC27H18FN3O2
Molecular Weight435.46 g/mol
Exact Mass435.14
IUPAC NameN-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2-fluorobenzamide
SMILESO=C(c1ccccc1)c1ccc2nc(-c3ccc(NC(=O)c4ccccc4F)cc3)[nH]c2c1
InChIInChI=1S/C27H18FN3O2/c28-22-9-5-4-8-21(22)27(33)29-20-13-10-18(11-14-20)26-30-23-15-12-19(16-24(23)31-26)25(32)17-6-2-1-3-7-17/h1-16H,(H,29,33)(H,30,31)
InChIKeyWUPNMIDCYDXGDJ-UHFFFAOYSA-N
XLogP5.85
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.46
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2-fluorobenzamide (CID 2204529) is N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2-fluorobenzamide is O=C(c1ccccc1)c1ccc2nc(-c3ccc(NC(=O)c4ccccc4F)cc3)[nH]c2c1.
What is the InChIKey of N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2-fluorobenzamide?
The InChIKey is WUPNMIDCYDXGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18FN3O2/c28-22-9-5-4-8-21(22)27(33)29-20-13-10-18(11-14-20)26-30-23-15-12-19(16-24(23)31-26)25(32)17-6-2-1-3-7-17/h1-16H,(H,29,33)(H,30,31).
What are the key properties of N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2-fluorobenzamide?
N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2-fluorobenzamide has a molecular weight of 435.46 g/mol, XLogP of 5.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 2204529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).