4-(6-fluoro-1H-benzimidazol-2-yl)fluoren-9-one

C20H11FN2O — CID 59208169

IUPAC4-(6-fluoro-1H-benzimidazol-2-yl)fluoren-9-one
SMILESO=C1c2ccccc2-c2c1cccc2-c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C20H11FN2O/c21-11-8-9-16-17(10-11)23-20(22-16)15-7-3-6-14-18(15)12-4-1-2-5-13(12)19(14)24/h1-10H,(H,22,23)
InChIKeyCTUSAAISESCSRF-UHFFFAOYSA-N
MW314.32 g/mol
LogP4.58
Rot. Bonds1

About 4-(6-fluoro-1H-benzimidazol-2-yl)fluoren-9-one

4-(6-fluoro-1H-benzimidazol-2-yl)fluoren-9-one (PubChem CID 59208169) has the molecular formula C20H11FN2O and a molecular weight of 314.32 g/mol. Its IUPAC name is 4-(6-fluoro-1H-benzimidazol-2-yl)fluoren-9-one.

Molecular Properties

Compound Name4-(6-fluoro-1H-benzimidazol-2-yl)fluoren-9-one
PubChem CID59208169
Molecular FormulaC20H11FN2O
Molecular Weight314.32 g/mol
Exact Mass314.09
IUPAC Name4-(6-fluoro-1H-benzimidazol-2-yl)fluoren-9-one
SMILESO=C1c2ccccc2-c2c1cccc2-c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C20H11FN2O/c21-11-8-9-16-17(10-11)23-20(22-16)15-7-3-6-14-18(15)12-4-1-2-5-13(12)19(14)24/h1-10H,(H,22,23)
InChIKeyCTUSAAISESCSRF-UHFFFAOYSA-N
XLogP4.58
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1H-benzimidazol-2-yl)fluoren-9-one?
The IUPAC name of 4-(6-fluoro-1H-benzimidazol-2-yl)fluoren-9-one (CID 59208169) is 4-(6-fluoro-1H-benzimidazol-2-yl)fluoren-9-one.
What is the SMILES notation for 4-(6-fluoro-1H-benzimidazol-2-yl)fluoren-9-one?
The canonical SMILES for 4-(6-fluoro-1H-benzimidazol-2-yl)fluoren-9-one is O=C1c2ccccc2-c2c1cccc2-c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 4-(6-fluoro-1H-benzimidazol-2-yl)fluoren-9-one?
The InChIKey is CTUSAAISESCSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11FN2O/c21-11-8-9-16-17(10-11)23-20(22-16)15-7-3-6-14-18(15)12-4-1-2-5-13(12)19(14)24/h1-10H,(H,22,23).
What are the key properties of 4-(6-fluoro-1H-benzimidazol-2-yl)fluoren-9-one?
4-(6-fluoro-1H-benzimidazol-2-yl)fluoren-9-one has a molecular weight of 314.32 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1H-benzimidazol-2-yl)fluoren-9-one is sourced from PubChem (CID 59208169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).