3-hydroxy-2-(6-methyl-1H-benzimidazol-2-yl)inden-1-one

C17H12N2O2 — CID 4177839

IUPAC3-hydroxy-2-(6-methyl-1H-benzimidazol-2-yl)inden-1-one
SMILESCc1ccc2nc(C3=C(O)c4ccccc4C3=O)[nH]c2c1
InChIInChI=1S/C17H12N2O2/c1-9-6-7-12-13(8-9)19-17(18-12)14-15(20)10-4-2-3-5-11(10)16(14)21/h2-8,20H,1H3,(H,18,19)
InChIKeyXTEOEHGBYMFJHM-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.49
Rot. Bonds1

About 3-hydroxy-2-(6-methyl-1H-benzimidazol-2-yl)inden-1-one

3-hydroxy-2-(6-methyl-1H-benzimidazol-2-yl)inden-1-one (PubChem CID 4177839) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-hydroxy-2-(6-methyl-1H-benzimidazol-2-yl)inden-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(6-methyl-1H-benzimidazol-2-yl)inden-1-one
PubChem CID4177839
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name3-hydroxy-2-(6-methyl-1H-benzimidazol-2-yl)inden-1-one
SMILESCc1ccc2nc(C3=C(O)c4ccccc4C3=O)[nH]c2c1
InChIInChI=1S/C17H12N2O2/c1-9-6-7-12-13(8-9)19-17(18-12)14-15(20)10-4-2-3-5-11(10)16(14)21/h2-8,20H,1H3,(H,18,19)
InChIKeyXTEOEHGBYMFJHM-UHFFFAOYSA-N
XLogP3.49
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}

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Related Compounds

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3-hydroxy-2-[6-(4-methylphenyl)quinolin-2-yl]inden-1-one
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6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
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(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
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CID 653921
6-methyl-2-(2-methyl-1H-indol-3-yl)-1H-benzimidazole
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6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(6-methyl-1H-benzimidazol-2-yl)inden-1-one?
The IUPAC name of 3-hydroxy-2-(6-methyl-1H-benzimidazol-2-yl)inden-1-one (CID 4177839) is 3-hydroxy-2-(6-methyl-1H-benzimidazol-2-yl)inden-1-one.
What is the SMILES notation for 3-hydroxy-2-(6-methyl-1H-benzimidazol-2-yl)inden-1-one?
The canonical SMILES for 3-hydroxy-2-(6-methyl-1H-benzimidazol-2-yl)inden-1-one is Cc1ccc2nc(C3=C(O)c4ccccc4C3=O)[nH]c2c1.
What is the InChIKey of 3-hydroxy-2-(6-methyl-1H-benzimidazol-2-yl)inden-1-one?
The InChIKey is XTEOEHGBYMFJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c1-9-6-7-12-13(8-9)19-17(18-12)14-15(20)10-4-2-3-5-11(10)16(14)21/h2-8,20H,1H3,(H,18,19).
What are the key properties of 3-hydroxy-2-(6-methyl-1H-benzimidazol-2-yl)inden-1-one?
3-hydroxy-2-(6-methyl-1H-benzimidazol-2-yl)inden-1-one has a molecular weight of 276.30 g/mol, XLogP of 3.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(6-methyl-1H-benzimidazol-2-yl)inden-1-one is sourced from PubChem (CID 4177839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).