2-[1-(3,4-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole

C18H20N2O — CID 46264663

IUPAC2-[1-(3,4-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(C(C)Oc3ccc(C)c(C)c3)[nH]c2c1
InChIInChI=1S/C18H20N2O/c1-11-5-8-16-17(9-11)20-18(19-16)14(4)21-15-7-6-12(2)13(3)10-15/h5-10,14H,1-4H3,(H,19,20)
InChIKeyOXSHRETWCMNQBI-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.63
Rot. Bonds3

About 2-[1-(3,4-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole

2-[1-(3,4-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole (PubChem CID 46264663) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(3,4-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole
PubChem CID46264663
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[1-(3,4-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(C(C)Oc3ccc(C)c(C)c3)[nH]c2c1
InChIInChI=1S/C18H20N2O/c1-11-5-8-16-17(9-11)20-18(19-16)14(4)21-15-7-6-12(2)13(3)10-15/h5-10,14H,1-4H3,(H,19,20)
InChIKeyOXSHRETWCMNQBI-UHFFFAOYSA-N
XLogP4.63
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(3,4-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S)-1-(2,6-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole
CID 27408381
6-chloro-2-[(1S)-1-(4-methylphenoxy)ethyl]-1H-benzimidazole
CID 51612369
2-[1-(4-ethylphenoxy)ethyl]-5,6-dimethyl-1H-benzimidazole
CID 46264658
2-[(1S)-1-(3-methylphenoxy)ethyl]-6-nitro-1H-benzimidazole
CID 96571449
6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole
CID 51662859
(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 1090298
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 653921
methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 143560224
2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole
CID 143794586
6-(difluoromethoxy)-2-[1-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 89433833
2-[1-(4-fluorophenoxy)ethyl]-4,6-dimethyl-1H-benzimidazole
CID 50754089
1-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethanamine
CID 82331925

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole?
The IUPAC name of 2-[1-(3,4-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole (CID 46264663) is 2-[1-(3,4-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[1-(3,4-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-[1-(3,4-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole is Cc1ccc2nc(C(C)Oc3ccc(C)c(C)c3)[nH]c2c1.
What is the InChIKey of 2-[1-(3,4-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole?
The InChIKey is OXSHRETWCMNQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-11-5-8-16-17(9-11)20-18(19-16)14(4)21-15-7-6-12(2)13(3)10-15/h5-10,14H,1-4H3,(H,19,20).
What are the key properties of 2-[1-(3,4-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole?
2-[1-(3,4-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole has a molecular weight of 280.37 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole is sourced from PubChem (CID 46264663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).