N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide

C23H17FN4O — CID 155536361

IUPACN-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide
SMILESN#Cc1ccc(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)cc1F
InChIInChI=1S/C23H17FN4O/c24-20-11-18(8-9-19(20)12-25)23(29)26-13-16-4-3-5-17(10-16)14-28-15-27-21-6-1-2-7-22(21)28/h1-11,15H,13-14H2,(H,26,29)
InChIKeyIDOXXMJAAQMULN-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.03
Rot. Bonds5

About N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide

N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide (PubChem CID 155536361) has the molecular formula C23H17FN4O and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide.

Molecular Properties

Compound NameN-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide
PubChem CID155536361
Molecular FormulaC23H17FN4O
Molecular Weight384.41 g/mol
Exact Mass384.14
IUPAC NameN-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide
SMILESN#Cc1ccc(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)cc1F
InChIInChI=1S/C23H17FN4O/c24-20-11-18(8-9-19(20)12-25)23(29)26-13-16-4-3-5-17(10-16)14-28-15-27-21-6-1-2-7-22(21)28/h1-11,15H,13-14H2,(H,26,29)
InChIKeyIDOXXMJAAQMULN-UHFFFAOYSA-N
XLogP4.03
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide?
The IUPAC name of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide (CID 155536361) is N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide.
What is the SMILES notation for N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide?
The canonical SMILES for N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide is N#Cc1ccc(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)cc1F.
What is the InChIKey of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide?
The InChIKey is IDOXXMJAAQMULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O/c24-20-11-18(8-9-19(20)12-25)23(29)26-13-16-4-3-5-17(10-16)14-28-15-27-21-6-1-2-7-22(21)28/h1-11,15H,13-14H2,(H,26,29).
What are the key properties of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide?
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide has a molecular weight of 384.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide is sourced from PubChem (CID 155536361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).