4,6-dimethyl-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole

C18H20N2O — CID 82940636

IUPAC4,6-dimethyl-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
SMILESCc1cccc(OCCc2nc3c(C)cc(C)cc3[nH]2)c1
InChIInChI=1S/C18H20N2O/c1-12-5-4-6-15(10-12)21-8-7-17-19-16-11-13(2)9-14(3)18(16)20-17/h4-6,9-11H,7-8H2,1-3H3,(H,19,20)
InChIKeyCJDJIAWXFOJDFE-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.11
Rot. Bonds4

About 4,6-dimethyl-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole

4,6-dimethyl-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole (PubChem CID 82940636) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 4,6-dimethyl-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name4,6-dimethyl-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
PubChem CID82940636
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name4,6-dimethyl-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
SMILESCc1cccc(OCCc2nc3c(C)cc(C)cc3[nH]2)c1
InChIInChI=1S/C18H20N2O/c1-12-5-4-6-15(10-12)21-8-7-17-19-16-11-13(2)9-14(3)18(16)20-17/h4-6,9-11H,7-8H2,1-3H3,(H,19,20)
InChIKeyCJDJIAWXFOJDFE-UHFFFAOYSA-N
XLogP4.11
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridine
CID 79795712
4,5-difluoro-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 115911909
2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 43236517
4,6-dimethyl-2-(phenoxymethyl)-1H-benzimidazole
CID 82947655
N-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79817012
2-amino-6-[2-(3-methylphenoxy)ethyl]-1H-1,3,5-triazine-4-thione
CID 83241772
2-(methoxymethyl)-4,6-dimethyl-1H-benzimidazole
CID 82946869
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
2-(2-methoxyethyl)-4-methyl-1H-benzimidazole
CID 64722498
4-[2-(3-methylphenoxy)ethyl]pyridine
CID 64765282
4,6,8-trimethyl-2-[3-(3-methylphenoxy)propylsulfanyl]quinoline
CID 39774416

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole?
The IUPAC name of 4,6-dimethyl-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole (CID 82940636) is 4,6-dimethyl-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole.
What is the SMILES notation for 4,6-dimethyl-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole?
The canonical SMILES for 4,6-dimethyl-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole is Cc1cccc(OCCc2nc3c(C)cc(C)cc3[nH]2)c1.
What is the InChIKey of 4,6-dimethyl-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole?
The InChIKey is CJDJIAWXFOJDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-5-4-6-15(10-12)21-8-7-17-19-16-11-13(2)9-14(3)18(16)20-17/h4-6,9-11H,7-8H2,1-3H3,(H,19,20).
What are the key properties of 4,6-dimethyl-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole?
4,6-dimethyl-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole has a molecular weight of 280.37 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole is sourced from PubChem (CID 82940636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).