2-(2-methoxyphenyl)-3-methylbenzo[e]benzimidazole

C19H16N2O — CID 14011837

IUPAC2-(2-methoxyphenyl)-3-methylbenzo[e]benzimidazole
SMILESCOc1ccccc1-c1nc2c3ccccc3ccc2n1C
InChIInChI=1S/C19H16N2O/c1-21-16-12-11-13-7-3-4-8-14(13)18(16)20-19(21)15-9-5-6-10-17(15)22-2/h3-12H,1-2H3
InChIKeyJASHXSVYKXHYNJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.40
Rot. Bonds2

About 2-(2-methoxyphenyl)-3-methylbenzo[e]benzimidazole

2-(2-methoxyphenyl)-3-methylbenzo[e]benzimidazole (PubChem CID 14011837) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3-methylbenzo[e]benzimidazole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3-methylbenzo[e]benzimidazole
PubChem CID14011837
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name2-(2-methoxyphenyl)-3-methylbenzo[e]benzimidazole
SMILESCOc1ccccc1-c1nc2c3ccccc3ccc2n1C
InChIInChI=1S/C19H16N2O/c1-21-16-12-11-13-7-3-4-8-14(13)18(16)20-19(21)15-9-5-6-10-17(15)22-2/h3-12H,1-2H3
InChIKeyJASHXSVYKXHYNJ-UHFFFAOYSA-N
XLogP4.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3-methylbenzo[e]benzimidazole?
The IUPAC name of 2-(2-methoxyphenyl)-3-methylbenzo[e]benzimidazole (CID 14011837) is 2-(2-methoxyphenyl)-3-methylbenzo[e]benzimidazole.
What is the SMILES notation for 2-(2-methoxyphenyl)-3-methylbenzo[e]benzimidazole?
The canonical SMILES for 2-(2-methoxyphenyl)-3-methylbenzo[e]benzimidazole is COc1ccccc1-c1nc2c3ccccc3ccc2n1C.
What is the InChIKey of 2-(2-methoxyphenyl)-3-methylbenzo[e]benzimidazole?
The InChIKey is JASHXSVYKXHYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-21-16-12-11-13-7-3-4-8-14(13)18(16)20-19(21)15-9-5-6-10-17(15)22-2/h3-12H,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-3-methylbenzo[e]benzimidazole?
2-(2-methoxyphenyl)-3-methylbenzo[e]benzimidazole has a molecular weight of 288.35 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3-methylbenzo[e]benzimidazole is sourced from PubChem (CID 14011837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).