4-(3-methylphenyl)benzimidazolo[2,1-b][1,3]benzoxazole

C20H14N2O — CID 134409482

IUPAC4-(3-methylphenyl)benzimidazolo[2,1-b][1,3]benzoxazole
SMILESCc1cccc(-c2cccc3c2oc2nc4ccccc4n23)c1
InChIInChI=1S/C20H14N2O/c1-13-6-4-7-14(12-13)15-8-5-11-18-19(15)23-20-21-16-9-2-3-10-17(16)22(18)20/h2-12H,1H3
InChIKeyLFYZDZRCCXNJTO-UHFFFAOYSA-N
MW298.35 g/mol
LogP5.21
Rot. Bonds1

About 4-(3-methylphenyl)benzimidazolo[2,1-b][1,3]benzoxazole

4-(3-methylphenyl)benzimidazolo[2,1-b][1,3]benzoxazole (PubChem CID 134409482) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-(3-methylphenyl)benzimidazolo[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound Name4-(3-methylphenyl)benzimidazolo[2,1-b][1,3]benzoxazole
PubChem CID134409482
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name4-(3-methylphenyl)benzimidazolo[2,1-b][1,3]benzoxazole
SMILESCc1cccc(-c2cccc3c2oc2nc4ccccc4n23)c1
InChIInChI=1S/C20H14N2O/c1-13-6-4-7-14(12-13)15-8-5-11-18-19(15)23-20-21-16-9-2-3-10-17(16)22(18)20/h2-12H,1H3
InChIKeyLFYZDZRCCXNJTO-UHFFFAOYSA-N
XLogP5.21
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.35
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[9-(3-methylphenyl)carbazol-3-yl]benzimidazolo[2,1-b][1,3]benzoxazole
CID 134409676
9-[3-(3-methylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazole
CID 118874105
6-(3-methylphenyl)benzimidazolo[2,1-a]isoquinoline
CID 138980951
5-methyl-2-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 123753360
3-tert-butyl-4-(4-octacyclo[16.16.2.02,7.08,13.014,36.019,24.025,30.031,35]hexatriaconta-1(34),2(7),3,5,8,10,12,14,16,18(36),19,21,23,25,27,29,31(35),32-octadecaenyl)benzimidazolo[2,1-b][1,3]benzoxazole
CID 137492651
3-tert-butyl-4-[3-(2,3,4,5,6-pentakis-phenyl-1,3,5,2,4,6-triazatriborinan-1-yl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazole
CID 140961097
6-(3-methylphenyl)indolo[1,2-a]quinoline
CID 71507366
[3-(benzimidazolo[2,1-b][1,3]benzoxazol-2-yl)phenyl]-triphenylsilane
CID 153462915
2-methyl-3-(3-methylphenyl)quinoline
CID 126727979
4-(3-methylphenyl)quinoline
CID 146587179
2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole
CID 17000755
3-(3-methylphenyl)pyrimido[1,2-a]benzimidazole
CID 165178310

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)benzimidazolo[2,1-b][1,3]benzoxazole?
The IUPAC name of 4-(3-methylphenyl)benzimidazolo[2,1-b][1,3]benzoxazole (CID 134409482) is 4-(3-methylphenyl)benzimidazolo[2,1-b][1,3]benzoxazole.
What is the SMILES notation for 4-(3-methylphenyl)benzimidazolo[2,1-b][1,3]benzoxazole?
The canonical SMILES for 4-(3-methylphenyl)benzimidazolo[2,1-b][1,3]benzoxazole is Cc1cccc(-c2cccc3c2oc2nc4ccccc4n23)c1.
What is the InChIKey of 4-(3-methylphenyl)benzimidazolo[2,1-b][1,3]benzoxazole?
The InChIKey is LFYZDZRCCXNJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O/c1-13-6-4-7-14(12-13)15-8-5-11-18-19(15)23-20-21-16-9-2-3-10-17(16)22(18)20/h2-12H,1H3.
What are the key properties of 4-(3-methylphenyl)benzimidazolo[2,1-b][1,3]benzoxazole?
4-(3-methylphenyl)benzimidazolo[2,1-b][1,3]benzoxazole has a molecular weight of 298.35 g/mol, XLogP of 5.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)benzimidazolo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 134409482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).