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

C17H14N2O — CID 64722899

IUPAC4-methyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole
SMILESCc1ccc2oc(-c3nc4c(C)cccc4[nH]3)cc2c1
InChIInChI=1S/C17H14N2O/c1-10-6-7-14-12(8-10)9-15(20-14)17-18-13-5-3-4-11(2)16(13)19-17/h3-9H,1-2H3,(H,18,19)
InChIKeyQNZHVZYJCUOKFS-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.59
Rot. Bonds1

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

4-methyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole (PubChem CID 64722899) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-methyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name4-methyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole
PubChem CID64722899
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name4-methyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole
SMILESCc1ccc2oc(-c3nc4c(C)cccc4[nH]3)cc2c1
InChIInChI=1S/C17H14N2O/c1-10-6-7-14-12(8-10)9-15(20-14)17-18-13-5-3-4-11(2)16(13)19-17/h3-9H,1-2H3,(H,18,19)
InChIKeyQNZHVZYJCUOKFS-UHFFFAOYSA-N
XLogP4.59
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole?
The IUPAC name of 4-methyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole (CID 64722899) is 4-methyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole.
What is the SMILES notation for 4-methyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole?
The canonical SMILES for 4-methyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole is Cc1ccc2oc(-c3nc4c(C)cccc4[nH]3)cc2c1.
What is the InChIKey of 4-methyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole?
The InChIKey is QNZHVZYJCUOKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-10-6-7-14-12(8-10)9-15(20-14)17-18-13-5-3-4-11(2)16(13)19-17/h3-9H,1-2H3,(H,18,19).
What are the key properties of 4-methyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole?
4-methyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole has a molecular weight of 262.31 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5-methyl-1-benzofuran-2-yl)-1H-benzimidazole is sourced from PubChem (CID 64722899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).