4,6-dimethyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole

C18H16N2O — CID 82942004

IUPAC4,6-dimethyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole
SMILESCc1ccc2oc(-c3nc4c(C)cc(C)cc4[nH]3)cc2c1
InChIInChI=1S/C18H16N2O/c1-10-4-5-15-13(7-10)9-16(21-15)18-19-14-8-11(2)6-12(3)17(14)20-18/h4-9H,1-3H3,(H,19,20)
InChIKeyKONCLYQLWNQDGJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.90
Rot. Bonds1

About 4,6-dimethyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole

4,6-dimethyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole (PubChem CID 82942004) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4,6-dimethyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name4,6-dimethyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole
PubChem CID82942004
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name4,6-dimethyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole
SMILESCc1ccc2oc(-c3nc4c(C)cc(C)cc4[nH]3)cc2c1
InChIInChI=1S/C18H16N2O/c1-10-4-5-15-13(7-10)9-16(21-15)18-19-14-8-11(2)6-12(3)17(14)20-18/h4-9H,1-3H3,(H,19,20)
InChIKeyKONCLYQLWNQDGJ-UHFFFAOYSA-N
XLogP4.90
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole?
The IUPAC name of 4,6-dimethyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole (CID 82942004) is 4,6-dimethyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole.
What is the SMILES notation for 4,6-dimethyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole?
The canonical SMILES for 4,6-dimethyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole is Cc1ccc2oc(-c3nc4c(C)cc(C)cc4[nH]3)cc2c1.
What is the InChIKey of 4,6-dimethyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole?
The InChIKey is KONCLYQLWNQDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-10-4-5-15-13(7-10)9-16(21-15)18-19-14-8-11(2)6-12(3)17(14)20-18/h4-9H,1-3H3,(H,19,20).
What are the key properties of 4,6-dimethyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole?
4,6-dimethyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole has a molecular weight of 276.34 g/mol, XLogP of 4.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole is sourced from PubChem (CID 82942004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).