2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]-1,3-benzoxazole

C19H19N3O — CID 23281786

IUPAC2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]-1,3-benzoxazole
SMILESCc1cc(C)c(N2C=CN(c3nc4ccccc4o3)C2)c(C)c1
InChIInChI=1S/C19H19N3O/c1-13-10-14(2)18(15(3)11-13)21-8-9-22(12-21)19-20-16-6-4-5-7-17(16)23-19/h4-11H,12H2,1-3H3
InChIKeyFHDOFVDJSIOAPS-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.51
Rot. Bonds2

About 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]-1,3-benzoxazole

2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]-1,3-benzoxazole (PubChem CID 23281786) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]-1,3-benzoxazole
PubChem CID23281786
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]-1,3-benzoxazole
SMILESCc1cc(C)c(N2C=CN(c3nc4ccccc4o3)C2)c(C)c1
InChIInChI=1S/C19H19N3O/c1-13-10-14(2)18(15(3)11-13)21-8-9-22(12-21)19-20-16-6-4-5-7-17(16)23-19/h4-11H,12H2,1-3H3
InChIKeyFHDOFVDJSIOAPS-UHFFFAOYSA-N
XLogP4.51
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 23722944
2-[3-(4-methylphenyl)-6-(2,4,6-trimethylphenyl)carbazol-9-yl]-1,3-benzoxazole
CID 71182016
2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole
CID 102587552
2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-1,3-benzoxazole
CID 71891792
1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol
CID 106673452
2-(1,3-benzoxazol-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
CID 126751054
2-methyl-1,3-benzoxazole;hydroiodide
CID 173239449
2-[2-bromo-2-(2,4,6-trimethylphenyl)ethyl]-1,3-benzoxazole
CID 66461842
2-(3-chlorocarbazol-9-yl)-1,3-benzoxazole
CID 146370377
N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 6115065
2-(4-propylpiperazin-1-yl)-1,3-benzoxazole
CID 11395660

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]-1,3-benzoxazole (CID 23281786) is 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]-1,3-benzoxazole is Cc1cc(C)c(N2C=CN(c3nc4ccccc4o3)C2)c(C)c1.
What is the InChIKey of 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]-1,3-benzoxazole?
The InChIKey is FHDOFVDJSIOAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13-10-14(2)18(15(3)11-13)21-8-9-22(12-21)19-20-16-6-4-5-7-17(16)23-19/h4-11H,12H2,1-3H3.
What are the key properties of 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]-1,3-benzoxazole?
2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]-1,3-benzoxazole has a molecular weight of 305.38 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 23281786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).