N-(benzimidazol-1-ylmethyl)-2-fluorobenzamide

C15H12FN3O — CID 71357542

IUPACN-(benzimidazol-1-ylmethyl)-2-fluorobenzamide
SMILESO=C(NCn1cnc2ccccc21)c1ccccc1F
InChIInChI=1S/C15H12FN3O/c16-12-6-2-1-5-11(12)15(20)18-10-19-9-17-13-7-3-4-8-14(13)19/h1-9H,10H2,(H,18,20)
InChIKeyBYVITLURDUDKKH-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.56
Rot. Bonds3

About N-(benzimidazol-1-ylmethyl)-2-fluorobenzamide

N-(benzimidazol-1-ylmethyl)-2-fluorobenzamide (PubChem CID 71357542) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is N-(benzimidazol-1-ylmethyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(benzimidazol-1-ylmethyl)-2-fluorobenzamide
PubChem CID71357542
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC NameN-(benzimidazol-1-ylmethyl)-2-fluorobenzamide
SMILESO=C(NCn1cnc2ccccc21)c1ccccc1F
InChIInChI=1S/C15H12FN3O/c16-12-6-2-1-5-11(12)15(20)18-10-19-9-17-13-7-3-4-8-14(13)19/h1-9H,10H2,(H,18,20)
InChIKeyBYVITLURDUDKKH-UHFFFAOYSA-N
XLogP2.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide
CID 86912487
2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide
CID 4827693
N-(benzimidazol-1-ylmethyl)-4-nitrobenzamide
CID 71353265
2-(benzimidazol-1-yl)-1-(5-bromo-2-fluorophenyl)ethanone
CID 105116406
2-(benzimidazol-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 43612592
N-[3-(benzimidazol-1-yl)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 17419797
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 134004736
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47929228
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 51072699

Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-ylmethyl)-2-fluorobenzamide?
The IUPAC name of N-(benzimidazol-1-ylmethyl)-2-fluorobenzamide (CID 71357542) is N-(benzimidazol-1-ylmethyl)-2-fluorobenzamide.
What is the SMILES notation for N-(benzimidazol-1-ylmethyl)-2-fluorobenzamide?
The canonical SMILES for N-(benzimidazol-1-ylmethyl)-2-fluorobenzamide is O=C(NCn1cnc2ccccc21)c1ccccc1F.
What is the InChIKey of N-(benzimidazol-1-ylmethyl)-2-fluorobenzamide?
The InChIKey is BYVITLURDUDKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-12-6-2-1-5-11(12)15(20)18-10-19-9-17-13-7-3-4-8-14(13)19/h1-9H,10H2,(H,18,20).
What are the key properties of N-(benzimidazol-1-ylmethyl)-2-fluorobenzamide?
N-(benzimidazol-1-ylmethyl)-2-fluorobenzamide has a molecular weight of 269.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-ylmethyl)-2-fluorobenzamide is sourced from PubChem (CID 71357542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).