3,5-dimethyl-4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]-1,2-oxazole

C21H21N3O2 — CID 78766650

IUPAC3,5-dimethyl-4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]-1,2-oxazole
SMILESCc1ccc(OCc2nc3ccccc3n2Cc2c(C)noc2C)cc1
InChIInChI=1S/C21H21N3O2/c1-14-8-10-17(11-9-14)25-13-21-22-19-6-4-5-7-20(19)24(21)12-18-15(2)23-26-16(18)3/h4-11H,12-13H2,1-3H3
InChIKeyZGQAQZAYEHRSAO-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.58
Rot. Bonds5

About 3,5-dimethyl-4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]-1,2-oxazole

3,5-dimethyl-4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]-1,2-oxazole (PubChem CID 78766650) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]-1,2-oxazole
PubChem CID78766650
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name3,5-dimethyl-4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]-1,2-oxazole
SMILESCc1ccc(OCc2nc3ccccc3n2Cc2c(C)noc2C)cc1
InChIInChI=1S/C21H21N3O2/c1-14-8-10-17(11-9-14)25-13-21-22-19-6-4-5-7-20(19)24(21)12-18-15(2)23-26-16(18)3/h4-11H,12-13H2,1-3H3
InChIKeyZGQAQZAYEHRSAO-UHFFFAOYSA-N
XLogP4.58
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methylphenoxy)methyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
CID 16998189
1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole
CID 16998195
2-(naphthalen-2-yloxymethyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 4631817
2-[(4-chlorophenoxy)methyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 16997069
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852
2-[(4-methylphenoxy)methyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole
CID 100659308
4-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]butan-1-amine
CID 94747495
1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249
2-[(4-tert-butylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 3848445
1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 43837450
2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 16998389
2-[(4-methylphenoxy)methyl]-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 16998239

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]-1,2-oxazole (CID 78766650) is 3,5-dimethyl-4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]-1,2-oxazole is Cc1ccc(OCc2nc3ccccc3n2Cc2c(C)noc2C)cc1.
What is the InChIKey of 3,5-dimethyl-4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is ZGQAQZAYEHRSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-8-10-17(11-9-14)25-13-21-22-19-6-4-5-7-20(19)24(21)12-18-15(2)23-26-16(18)3/h4-11H,12-13H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 347.42 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 78766650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).