N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide

C19H13FN4O — CID 134004736

IUPACN-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1ccccc1F
InChIInChI=1S/C19H13FN4O/c20-15-6-2-1-5-14(15)19(25)23-13-9-10-18(21-11-13)24-12-22-16-7-3-4-8-17(16)24/h1-12H,(H,23,25)
InChIKeyXTMNKZXZGKHJMY-UHFFFAOYSA-N
MW332.34 g/mol
LogP3.81
Rot. Bonds3

About N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide

N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide (PubChem CID 134004736) has the molecular formula C19H13FN4O and a molecular weight of 332.34 g/mol. Its IUPAC name is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide
PubChem CID134004736
Molecular FormulaC19H13FN4O
Molecular Weight332.34 g/mol
Exact Mass332.11
IUPAC NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1ccccc1F
InChIInChI=1S/C19H13FN4O/c20-15-6-2-1-5-14(15)19(25)23-13-9-10-18(21-11-13)24-12-22-16-7-3-4-8-17(16)24/h1-12H,(H,23,25)
InChIKeyXTMNKZXZGKHJMY-UHFFFAOYSA-N
XLogP3.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide?
The IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide (CID 134004736) is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide is O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1ccccc1F.
What is the InChIKey of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide?
The InChIKey is XTMNKZXZGKHJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O/c20-15-6-2-1-5-14(15)19(25)23-13-9-10-18(21-11-13)24-12-22-16-7-3-4-8-17(16)24/h1-12H,(H,23,25).
What are the key properties of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide?
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 332.34 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 134004736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).