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

C21H14N2O — CID 67359622

IUPAC4-(6-methyl-1H-benzimidazol-2-yl)fluoren-9-one
SMILESCc1ccc2nc(-c3cccc4c3-c3ccccc3C4=O)[nH]c2c1
InChIInChI=1S/C21H14N2O/c1-12-9-10-17-18(11-12)23-21(22-17)16-8-4-7-15-19(16)13-5-2-3-6-14(13)20(15)24/h2-11H,1H3,(H,22,23)
InChIKeyASTZAGLGGYDOBE-UHFFFAOYSA-N
MW310.36 g/mol
LogP4.75
Rot. Bonds1

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

4-(6-methyl-1H-benzimidazol-2-yl)fluoren-9-one (PubChem CID 67359622) has the molecular formula C21H14N2O and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-(6-methyl-1H-benzimidazol-2-yl)fluoren-9-one.

Molecular Properties

Compound Name4-(6-methyl-1H-benzimidazol-2-yl)fluoren-9-one
PubChem CID67359622
Molecular FormulaC21H14N2O
Molecular Weight310.36 g/mol
Exact Mass310.11
IUPAC Name4-(6-methyl-1H-benzimidazol-2-yl)fluoren-9-one
SMILESCc1ccc2nc(-c3cccc4c3-c3ccccc3C4=O)[nH]c2c1
InChIInChI=1S/C21H14N2O/c1-12-9-10-17-18(11-12)23-21(22-17)16-8-4-7-15-19(16)13-5-2-3-6-14(13)20(15)24/h2-11H,1H3,(H,22,23)
InChIKeyASTZAGLGGYDOBE-UHFFFAOYSA-N
XLogP4.75
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6-fluoro-1H-benzimidazol-2-yl)fluoren-9-one
CID 59208169
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5-(1H-benzimidazol-2-yl)-9-oxofluorene-2-carbonitrile
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6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 59378105
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
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6-methyl-2-(2-methyl-1H-indol-3-yl)-1H-benzimidazole
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2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 17010591
5-methyl-3-(6-methyl-1H-benzimidazol-2-yl)thiophen-2-amine
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CID 159476815

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-1H-benzimidazol-2-yl)fluoren-9-one?
The IUPAC name of 4-(6-methyl-1H-benzimidazol-2-yl)fluoren-9-one (CID 67359622) is 4-(6-methyl-1H-benzimidazol-2-yl)fluoren-9-one.
What is the SMILES notation for 4-(6-methyl-1H-benzimidazol-2-yl)fluoren-9-one?
The canonical SMILES for 4-(6-methyl-1H-benzimidazol-2-yl)fluoren-9-one is Cc1ccc2nc(-c3cccc4c3-c3ccccc3C4=O)[nH]c2c1.
What is the InChIKey of 4-(6-methyl-1H-benzimidazol-2-yl)fluoren-9-one?
The InChIKey is ASTZAGLGGYDOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O/c1-12-9-10-17-18(11-12)23-21(22-17)16-8-4-7-15-19(16)13-5-2-3-6-14(13)20(15)24/h2-11H,1H3,(H,22,23).
What are the key properties of 4-(6-methyl-1H-benzimidazol-2-yl)fluoren-9-one?
4-(6-methyl-1H-benzimidazol-2-yl)fluoren-9-one has a molecular weight of 310.36 g/mol, XLogP of 4.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-1H-benzimidazol-2-yl)fluoren-9-one is sourced from PubChem (CID 67359622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).