N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide

C20H10F5N3O — CID 2200641

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C20H10F5N3O/c21-14-13(15(22)17(24)18(25)16(14)23)20(29)26-10-7-5-9(6-8-10)19-27-11-3-1-2-4-12(11)28-19/h1-8H,(H,26,29)(H,27,28)
InChIKeyABRMNMWSRYGJAX-UHFFFAOYSA-N
MW403.31 g/mol
LogP5.18
Rot. Bonds3

About N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide (PubChem CID 2200641) has the molecular formula C20H10F5N3O and a molecular weight of 403.31 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
PubChem CID2200641
Molecular FormulaC20H10F5N3O
Molecular Weight403.31 g/mol
Exact Mass403.07
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C20H10F5N3O/c21-14-13(15(22)17(24)18(25)16(14)23)20(29)26-10-7-5-9(6-8-10)19-27-11-3-1-2-4-12(11)28-19/h1-8H,(H,26,29)(H,27,28)
InChIKeyABRMNMWSRYGJAX-UHFFFAOYSA-N
XLogP5.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.31
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide (CID 2200641) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is ABRMNMWSRYGJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F5N3O/c21-14-13(15(22)17(24)18(25)16(14)23)20(29)26-10-7-5-9(6-8-10)19-27-11-3-1-2-4-12(11)28-19/h1-8H,(H,26,29)(H,27,28).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 403.31 g/mol, XLogP of 5.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 2200641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).