3-benzyl-4-fluoro-1H-benzimidazol-2-one

C14H11FN2O — CID 83415339

IUPAC3-benzyl-4-fluoro-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(F)c2n1Cc1ccccc1
InChIInChI=1S/C14H11FN2O/c15-11-7-4-8-12-13(11)17(14(18)16-12)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,18)
InChIKeyHGJHQVCXBBLFTR-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.52
Rot. Bonds2

About 3-benzyl-4-fluoro-1H-benzimidazol-2-one

3-benzyl-4-fluoro-1H-benzimidazol-2-one (PubChem CID 83415339) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 3-benzyl-4-fluoro-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-benzyl-4-fluoro-1H-benzimidazol-2-one
PubChem CID83415339
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name3-benzyl-4-fluoro-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(F)c2n1Cc1ccccc1
InChIInChI=1S/C14H11FN2O/c15-11-7-4-8-12-13(11)17(14(18)16-12)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,18)
InChIKeyHGJHQVCXBBLFTR-UHFFFAOYSA-N
XLogP2.52
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-fluoro-1H-benzimidazol-2-one?
The IUPAC name of 3-benzyl-4-fluoro-1H-benzimidazol-2-one (CID 83415339) is 3-benzyl-4-fluoro-1H-benzimidazol-2-one.
What is the SMILES notation for 3-benzyl-4-fluoro-1H-benzimidazol-2-one?
The canonical SMILES for 3-benzyl-4-fluoro-1H-benzimidazol-2-one is O=c1[nH]c2cccc(F)c2n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-fluoro-1H-benzimidazol-2-one?
The InChIKey is HGJHQVCXBBLFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-11-7-4-8-12-13(11)17(14(18)16-12)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,18).
What are the key properties of 3-benzyl-4-fluoro-1H-benzimidazol-2-one?
3-benzyl-4-fluoro-1H-benzimidazol-2-one has a molecular weight of 242.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-fluoro-1H-benzimidazol-2-one is sourced from PubChem (CID 83415339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).