2-[4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-methylacetamide

C17H16FN3O2 — CID 166828603

IUPAC2-[4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(Cn2c(=O)[nH]c3ccc(F)cc32)cc1
InChIInChI=1S/C17H16FN3O2/c1-19-16(22)8-11-2-4-12(5-3-11)10-21-15-9-13(18)6-7-14(15)20-17(21)23/h2-7,9H,8,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyHHYYZEAJAOBEQN-UHFFFAOYSA-N
MW313.33 g/mol
LogP1.81
Rot. Bonds4

About 2-[4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-methylacetamide

2-[4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-methylacetamide (PubChem CID 166828603) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 2-[4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-methylacetamide
PubChem CID166828603
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name2-[4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(Cn2c(=O)[nH]c3ccc(F)cc32)cc1
InChIInChI=1S/C17H16FN3O2/c1-19-16(22)8-11-2-4-12(5-3-11)10-21-15-9-13(18)6-7-14(15)20-17(21)23/h2-7,9H,8,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyHHYYZEAJAOBEQN-UHFFFAOYSA-N
XLogP1.81
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-methylacetamide (CID 166828603) is 2-[4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(Cn2c(=O)[nH]c3ccc(F)cc32)cc1.
What is the InChIKey of 2-[4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-methylacetamide?
The InChIKey is HHYYZEAJAOBEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-19-16(22)8-11-2-4-12(5-3-11)10-21-15-9-13(18)6-7-14(15)20-17(21)23/h2-7,9H,8,10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-[4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-methylacetamide?
2-[4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-methylacetamide has a molecular weight of 313.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-methylacetamide is sourced from PubChem (CID 166828603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).