N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrrol-2-yl)-2-oxoacetamide

C16H15FN4O2 — CID 56874874

IUPACN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
SMILESCN(Cc1nc2ccc(F)cc2[nH]1)C(=O)C(=O)c1cccn1C
InChIInChI=1S/C16H15FN4O2/c1-20-7-3-4-13(20)15(22)16(23)21(2)9-14-18-11-6-5-10(17)8-12(11)19-14/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyZDSOUERVAGSQSN-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.88
Rot. Bonds4

About N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrrol-2-yl)-2-oxoacetamide

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrrol-2-yl)-2-oxoacetamide (PubChem CID 56874874) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrrol-2-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
PubChem CID56874874
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
SMILESCN(Cc1nc2ccc(F)cc2[nH]1)C(=O)C(=O)c1cccn1C
InChIInChI=1S/C16H15FN4O2/c1-20-7-3-4-13(20)15(22)16(23)21(2)9-14-18-11-6-5-10(17)8-12(11)19-14/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyZDSOUERVAGSQSN-UHFFFAOYSA-N
XLogP1.88
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-benzimidazole-2-carboxamide
CID 46953664
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide
CID 137094516
2-(2-ethylimidazol-1-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide
CID 91829331
2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide
CID 70784686
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 131900540
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylsulfamoyl]-N-methyl-1-phenylmethanamine
CID 131926246
1-[2-(dimethylamino)ethyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 50965938
N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide
CID 70742457
1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 122566230
3-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylurea
CID 122572700
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 134698957

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
The IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrrol-2-yl)-2-oxoacetamide (CID 56874874) is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrrol-2-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
The canonical SMILES for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrrol-2-yl)-2-oxoacetamide is CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)C(=O)c1cccn1C.
What is the InChIKey of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
The InChIKey is ZDSOUERVAGSQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-20-7-3-4-13(20)15(22)16(23)21(2)9-14-18-11-6-5-10(17)8-12(11)19-14/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrrol-2-yl)-2-oxoacetamide has a molecular weight of 314.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrrol-2-yl)-2-oxoacetamide is sourced from PubChem (CID 56874874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).