1-(9H-fluoren-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone

C23H18N2O2S — CID 7225565

IUPAC1-(9H-fluoren-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone
SMILESCOc1ccc2nc(SCC(=O)c3ccc4c(c3)-c3ccccc3C4)[nH]c2c1
InChIInChI=1S/C23H18N2O2S/c1-27-17-8-9-20-21(12-17)25-23(24-20)28-13-22(26)16-7-6-15-10-14-4-2-3-5-18(14)19(15)11-16/h2-9,11-12H,10,13H2,1H3,(H,24,25)
InChIKeyQXFFDAHLBWFUIH-UHFFFAOYSA-N
MW386.48 g/mol
LogP5.12
Rot. Bonds5

About 1-(9H-fluoren-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone

1-(9H-fluoren-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone (PubChem CID 7225565) has the molecular formula C23H18N2O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is 1-(9H-fluoren-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(9H-fluoren-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone
PubChem CID7225565
Molecular FormulaC23H18N2O2S
Molecular Weight386.48 g/mol
Exact Mass386.11
IUPAC Name1-(9H-fluoren-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone
SMILESCOc1ccc2nc(SCC(=O)c3ccc4c(c3)-c3ccccc3C4)[nH]c2c1
InChIInChI=1S/C23H18N2O2S/c1-27-17-8-9-20-21(12-17)25-23(24-20)28-13-22(26)16-7-6-15-10-14-4-2-3-5-18(14)19(15)11-16/h2-9,11-12H,10,13H2,1H3,(H,24,25)
InChIKeyQXFFDAHLBWFUIH-UHFFFAOYSA-N
XLogP5.12
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(9H-fluoren-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone with MolForge

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-1-(9H-fluoren-3-yl)ethanone
CID 2420704
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 18266537
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone
CID 2858387
N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]benzamide
CID 40672353
1-[4-(difluoromethoxy)phenyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 7246694
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(4-propylphenyl)ethanone
CID 7225507
1-[4-[(2S)-butan-2-yl]phenyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 7225511
1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-one;hydrochloride
CID 44889304
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzamide
CID 728051
1-(9H-fluoren-2-yl)-2-(7-methoxyquinolin-4-yl)sulfanylethanone
CID 18790572
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 1399536
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 780764

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(9H-fluoren-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone (CID 7225565) is 1-(9H-fluoren-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(9H-fluoren-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(9H-fluoren-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone is COc1ccc2nc(SCC(=O)c3ccc4c(c3)-c3ccccc3C4)[nH]c2c1.
What is the InChIKey of 1-(9H-fluoren-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone?
The InChIKey is QXFFDAHLBWFUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2S/c1-27-17-8-9-20-21(12-17)25-23(24-20)28-13-22(26)16-7-6-15-10-14-4-2-3-5-18(14)19(15)11-16/h2-9,11-12H,10,13H2,1H3,(H,24,25).
What are the key properties of 1-(9H-fluoren-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone?
1-(9H-fluoren-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone has a molecular weight of 386.48 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 7225565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).