3H-benzimidazol-5-yl-(5-fluoro-2,3-dihydroindol-1-yl)methanone

C16H12FN3O — CID 110742263

IUPAC3H-benzimidazol-5-yl-(5-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCc2cc(F)ccc21
InChIInChI=1S/C16H12FN3O/c17-12-2-4-15-10(7-12)5-6-20(15)16(21)11-1-3-13-14(8-11)19-9-18-13/h1-4,7-9H,5-6H2,(H,18,19)
InChIKeyPRZQDIYFLCRDDV-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.90
Rot. Bonds1

About 3H-benzimidazol-5-yl-(5-fluoro-2,3-dihydroindol-1-yl)methanone

3H-benzimidazol-5-yl-(5-fluoro-2,3-dihydroindol-1-yl)methanone (PubChem CID 110742263) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-(5-fluoro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-(5-fluoro-2,3-dihydroindol-1-yl)methanone
PubChem CID110742263
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name3H-benzimidazol-5-yl-(5-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCc2cc(F)ccc21
InChIInChI=1S/C16H12FN3O/c17-12-2-4-15-10(7-12)5-6-20(15)16(21)11-1-3-13-14(8-11)19-9-18-13/h1-4,7-9H,5-6H2,(H,18,19)
InChIKeyPRZQDIYFLCRDDV-UHFFFAOYSA-N
XLogP2.90
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-(5-fluoro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of 3H-benzimidazol-5-yl-(5-fluoro-2,3-dihydroindol-1-yl)methanone (CID 110742263) is 3H-benzimidazol-5-yl-(5-fluoro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-(5-fluoro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-(5-fluoro-2,3-dihydroindol-1-yl)methanone is O=C(c1ccc2nc[nH]c2c1)N1CCc2cc(F)ccc21.
What is the InChIKey of 3H-benzimidazol-5-yl-(5-fluoro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is PRZQDIYFLCRDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-12-2-4-15-10(7-12)5-6-20(15)16(21)11-1-3-13-14(8-11)19-9-18-13/h1-4,7-9H,5-6H2,(H,18,19).
What are the key properties of 3H-benzimidazol-5-yl-(5-fluoro-2,3-dihydroindol-1-yl)methanone?
3H-benzimidazol-5-yl-(5-fluoro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 281.29 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-(5-fluoro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 110742263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).