6-(1H-benzimidazol-2-yl)-7-hydroxy-5-methoxy-2-methylchromen-4-one

C18H14N2O4 — CID 135536753

IUPAC6-(1H-benzimidazol-2-yl)-7-hydroxy-5-methoxy-2-methylchromen-4-one
SMILESCOc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12
InChIInChI=1S/C18H14N2O4/c1-9-7-12(21)15-14(24-9)8-13(22)16(17(15)23-2)18-19-10-5-3-4-6-11(10)20-18/h3-8,22H,1-2H3,(H,19,20)
InChIKeyQVNZKVACBBTKSL-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.36
Rot. Bonds2

About 6-(1H-benzimidazol-2-yl)-7-hydroxy-5-methoxy-2-methylchromen-4-one

6-(1H-benzimidazol-2-yl)-7-hydroxy-5-methoxy-2-methylchromen-4-one (PubChem CID 135536753) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 6-(1H-benzimidazol-2-yl)-7-hydroxy-5-methoxy-2-methylchromen-4-one.

Molecular Properties

Compound Name6-(1H-benzimidazol-2-yl)-7-hydroxy-5-methoxy-2-methylchromen-4-one
PubChem CID135536753
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name6-(1H-benzimidazol-2-yl)-7-hydroxy-5-methoxy-2-methylchromen-4-one
SMILESCOc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12
InChIInChI=1S/C18H14N2O4/c1-9-7-12(21)15-14(24-9)8-13(22)16(17(15)23-2)18-19-10-5-3-4-6-11(10)20-18/h3-8,22H,1-2H3,(H,19,20)
InChIKeyQVNZKVACBBTKSL-UHFFFAOYSA-N
XLogP3.36
TPSA88.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzimidazol-2-yl)-7-hydroxy-5-methoxy-2-methylchromen-4-one?
The IUPAC name of 6-(1H-benzimidazol-2-yl)-7-hydroxy-5-methoxy-2-methylchromen-4-one (CID 135536753) is 6-(1H-benzimidazol-2-yl)-7-hydroxy-5-methoxy-2-methylchromen-4-one.
What is the SMILES notation for 6-(1H-benzimidazol-2-yl)-7-hydroxy-5-methoxy-2-methylchromen-4-one?
The canonical SMILES for 6-(1H-benzimidazol-2-yl)-7-hydroxy-5-methoxy-2-methylchromen-4-one is COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12.
What is the InChIKey of 6-(1H-benzimidazol-2-yl)-7-hydroxy-5-methoxy-2-methylchromen-4-one?
The InChIKey is QVNZKVACBBTKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-9-7-12(21)15-14(24-9)8-13(22)16(17(15)23-2)18-19-10-5-3-4-6-11(10)20-18/h3-8,22H,1-2H3,(H,19,20).
What are the key properties of 6-(1H-benzimidazol-2-yl)-7-hydroxy-5-methoxy-2-methylchromen-4-one?
6-(1H-benzimidazol-2-yl)-7-hydroxy-5-methoxy-2-methylchromen-4-one has a molecular weight of 322.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzimidazol-2-yl)-7-hydroxy-5-methoxy-2-methylchromen-4-one is sourced from PubChem (CID 135536753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).