2-(4-methoxy-3-methylphenyl)-3-methylbenzo[e]benzimidazole

C20H18N2O — CID 13274418

IUPAC2-(4-methoxy-3-methylphenyl)-3-methylbenzo[e]benzimidazole
SMILESCOc1ccc(-c2nc3c4ccccc4ccc3n2C)cc1C
InChIInChI=1S/C20H18N2O/c1-13-12-15(9-11-18(13)23-3)20-21-19-16-7-5-4-6-14(16)8-10-17(19)22(20)2/h4-12H,1-3H3
InChIKeyWKRZBFPZOQOGCX-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.71
Rot. Bonds2

About 2-(4-methoxy-3-methylphenyl)-3-methylbenzo[e]benzimidazole

2-(4-methoxy-3-methylphenyl)-3-methylbenzo[e]benzimidazole (PubChem CID 13274418) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-3-methylbenzo[e]benzimidazole.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-3-methylbenzo[e]benzimidazole
PubChem CID13274418
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name2-(4-methoxy-3-methylphenyl)-3-methylbenzo[e]benzimidazole
SMILESCOc1ccc(-c2nc3c4ccccc4ccc3n2C)cc1C
InChIInChI=1S/C20H18N2O/c1-13-12-15(9-11-18(13)23-3)20-21-19-16-7-5-4-6-14(16)8-10-17(19)22(20)2/h4-12H,1-3H3
InChIKeyWKRZBFPZOQOGCX-UHFFFAOYSA-N
XLogP4.71
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-3-methylbenzo[e]benzimidazole?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-3-methylbenzo[e]benzimidazole (CID 13274418) is 2-(4-methoxy-3-methylphenyl)-3-methylbenzo[e]benzimidazole.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-3-methylbenzo[e]benzimidazole?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-3-methylbenzo[e]benzimidazole is COc1ccc(-c2nc3c4ccccc4ccc3n2C)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-3-methylbenzo[e]benzimidazole?
The InChIKey is WKRZBFPZOQOGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-13-12-15(9-11-18(13)23-3)20-21-19-16-7-5-4-6-14(16)8-10-17(19)22(20)2/h4-12H,1-3H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)-3-methylbenzo[e]benzimidazole?
2-(4-methoxy-3-methylphenyl)-3-methylbenzo[e]benzimidazole has a molecular weight of 302.38 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-3-methylbenzo[e]benzimidazole is sourced from PubChem (CID 13274418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).