5,6-dimethyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole

C18H20N2O — CID 962401

IUPAC5,6-dimethyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole
SMILESCc1cc2ncn(CCOc3ccccc3C)c2cc1C
InChIInChI=1S/C18H20N2O/c1-13-6-4-5-7-18(13)21-9-8-20-12-19-16-10-14(2)15(3)11-17(16)20/h4-7,10-12H,8-9H2,1-3H3
InChIKeyYKRCWFPMPVAHFW-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.04
Rot. Bonds4

About 5,6-dimethyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole

5,6-dimethyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole (PubChem CID 962401) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 5,6-dimethyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole
PubChem CID962401
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name5,6-dimethyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole
SMILESCc1cc2ncn(CCOc3ccccc3C)c2cc1C
InChIInChI=1S/C18H20N2O/c1-13-6-4-5-7-18(13)21-9-8-20-12-19-16-10-14(2)15(3)11-17(16)20/h4-7,10-12H,8-9H2,1-3H3
InChIKeyYKRCWFPMPVAHFW-UHFFFAOYSA-N
XLogP4.04
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole?
The IUPAC name of 5,6-dimethyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole (CID 962401) is 5,6-dimethyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 5,6-dimethyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 5,6-dimethyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole is Cc1cc2ncn(CCOc3ccccc3C)c2cc1C.
What is the InChIKey of 5,6-dimethyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole?
The InChIKey is YKRCWFPMPVAHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-6-4-5-7-18(13)21-9-8-20-12-19-16-10-14(2)15(3)11-17(16)20/h4-7,10-12H,8-9H2,1-3H3.
What are the key properties of 5,6-dimethyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole?
5,6-dimethyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole has a molecular weight of 280.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 962401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).