N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-4-hydroxy-N-methylbenzamide

C16H14FN3O2 — CID 154841203

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-fluoro-4-hydroxy-N-methylbenzamide
SMILESCN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(O)cc1F
InChIInChI=1S/C16H14FN3O2/c1-20(16(22)11-7-6-10(21)8-12(11)17)9-15-18-13-4-2-3-5-14(13)19-15/h2-8,21H,9H2,1H3,(H,18,19)
InChIKeySBUQJZCYSTYMDD-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.68
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-4-hydroxy-N-methylbenzamide

N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-4-hydroxy-N-methylbenzamide (PubChem CID 154841203) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-4-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-fluoro-4-hydroxy-N-methylbenzamide
PubChem CID154841203
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-fluoro-4-hydroxy-N-methylbenzamide
SMILESCN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(O)cc1F
InChIInChI=1S/C16H14FN3O2/c1-20(16(22)11-7-6-10(21)8-12(11)17)9-15-18-13-4-2-3-5-14(13)19-15/h2-8,21H,9H2,1H3,(H,18,19)
InChIKeySBUQJZCYSTYMDD-UHFFFAOYSA-N
XLogP2.68
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide
CID 36516617
N-(1H-benzimidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
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N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1H-imidazole-5-carboxamide
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N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide
CID 47159982
N-(1H-benzimidazol-2-ylmethyl)-N,2,2-trimethylcyclopropane-1-carboxamide
CID 131949916
2-fluoro-4-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 107676711
N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethylimidazole-2-carboxamide
CID 110467360
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467875
N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-N-methylbenzenesulfonamide
CID 35385353
N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 115319140
N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide
CID 36516588
N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-4-hydroxy-N-methylbenzamide
CID 104928275

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-4-hydroxy-N-methylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-4-hydroxy-N-methylbenzamide (CID 154841203) is N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-4-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-4-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-4-hydroxy-N-methylbenzamide is CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(O)cc1F.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-4-hydroxy-N-methylbenzamide?
The InChIKey is SBUQJZCYSTYMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-20(16(22)11-7-6-10(21)8-12(11)17)9-15-18-13-4-2-3-5-14(13)19-15/h2-8,21H,9H2,1H3,(H,18,19).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-4-hydroxy-N-methylbenzamide?
N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-4-hydroxy-N-methylbenzamide has a molecular weight of 299.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-4-hydroxy-N-methylbenzamide is sourced from PubChem (CID 154841203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).