N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide

C21H16FN3O — CID 43889813

IUPACN-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide
SMILESO=C(NC(c1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1F
InChIInChI=1S/C21H16FN3O/c22-16-11-5-4-10-15(16)21(26)25-19(14-8-2-1-3-9-14)20-23-17-12-6-7-13-18(17)24-20/h1-13,19H,(H,23,24)(H,25,26)
InChIKeyXDWJAXDVFSIYMI-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.22
Rot. Bonds4

About N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide

N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide (PubChem CID 43889813) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide
PubChem CID43889813
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC NameN-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide
SMILESO=C(NC(c1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1F
InChIInChI=1S/C21H16FN3O/c22-16-11-5-4-10-15(16)21(26)25-19(14-8-2-1-3-9-14)20-23-17-12-6-7-13-18(17)24-20/h1-13,19H,(H,23,24)(H,25,26)
InChIKeyXDWJAXDVFSIYMI-UHFFFAOYSA-N
XLogP4.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide
CID 4779807
N-[(1S)-1-(1H-benzimidazol-2-yl)butyl]-2-fluorobenzamide
CID 948873
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide
CID 30157732
2-chloro-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43890007
N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbutanamide
CID 43889826
N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide
CID 43889810
N-(1H-benzimidazol-2-yl)-2-fluorobenzamide
CID 2166675
N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 118986188
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 17458136
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 25345385
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-fluorobenzamide
CID 17459446
2-fluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 1474151

Frequently Asked Questions

What is the IUPAC name of N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide?
The IUPAC name of N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide (CID 43889813) is N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide?
The canonical SMILES for N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide is O=C(NC(c1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1F.
What is the InChIKey of N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide?
The InChIKey is XDWJAXDVFSIYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c22-16-11-5-4-10-15(16)21(26)25-19(14-8-2-1-3-9-14)20-23-17-12-6-7-13-18(17)24-20/h1-13,19H,(H,23,24)(H,25,26).
What are the key properties of N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide?
N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide has a molecular weight of 345.38 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 43889813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).