9-[3-(3-methylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazole

C26H18N2O — CID 118874105

IUPAC9-[3-(3-methylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazole
SMILESCc1cccc(-c2cccc(-c3ccc4nc5oc6ccccc6n5c4c3)c2)c1
InChIInChI=1S/C26H18N2O/c1-17-6-4-7-18(14-17)19-8-5-9-20(15-19)21-12-13-22-24(16-21)28-23-10-2-3-11-25(23)29-26(28)27-22/h2-16H,1H3
InChIKeyITSMZRZKHHOINA-UHFFFAOYSA-N
MW374.44 g/mol
LogP6.88
Rot. Bonds2

About 9-[3-(3-methylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazole

9-[3-(3-methylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazole (PubChem CID 118874105) has the molecular formula C26H18N2O and a molecular weight of 374.44 g/mol. Its IUPAC name is 9-[3-(3-methylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound Name9-[3-(3-methylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazole
PubChem CID118874105
Molecular FormulaC26H18N2O
Molecular Weight374.44 g/mol
Exact Mass374.14
IUPAC Name9-[3-(3-methylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazole
SMILESCc1cccc(-c2cccc(-c3ccc4nc5oc6ccccc6n5c4c3)c2)c1
InChIInChI=1S/C26H18N2O/c1-17-6-4-7-18(14-17)19-8-5-9-20(15-19)21-12-13-22-24(16-21)28-23-10-2-3-11-25(23)29-26(28)27-22/h2-16H,1H3
InChIKeyITSMZRZKHHOINA-UHFFFAOYSA-N
XLogP6.88
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylphenyl)benzimidazolo[2,1-b][1,3]benzoxazole
CID 134409482
9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole
CID 154624038
[3-(benzimidazolo[2,1-b][1,3]benzoxazol-2-yl)phenyl]-triphenylsilane
CID 153462915
5-methyl-2-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 123753360
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
2-phenyl-1-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazole
CID 59691075
9-[2-[6-(5H-benzimidazolo[1,2-a]benzimidazol-2-yl)-9-phenylcarbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-5-yl]benzimidazolo[2,1-b][1,3]benzoxazole
CID 137307916
4-[9-(3-methylphenyl)carbazol-3-yl]benzimidazolo[2,1-b][1,3]benzoxazole
CID 134409676
2-[4-(3-methylphenyl)phenyl]-1-benzofuran
CID 132966930
1-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazin-12-one
CID 169048540
6-(3,5-diphenylphenyl)-12-oxa-16-thia-3,10-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(13),4(9),5,7,10,14,17,19,21,23-decaen-2-one
CID 168742049
11-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole
CID 164782309

Frequently Asked Questions

What is the IUPAC name of 9-[3-(3-methylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazole?
The IUPAC name of 9-[3-(3-methylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazole (CID 118874105) is 9-[3-(3-methylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazole.
What is the SMILES notation for 9-[3-(3-methylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazole?
The canonical SMILES for 9-[3-(3-methylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazole is Cc1cccc(-c2cccc(-c3ccc4nc5oc6ccccc6n5c4c3)c2)c1.
What is the InChIKey of 9-[3-(3-methylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazole?
The InChIKey is ITSMZRZKHHOINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O/c1-17-6-4-7-18(14-17)19-8-5-9-20(15-19)21-12-13-22-24(16-21)28-23-10-2-3-11-25(23)29-26(28)27-22/h2-16H,1H3.
What are the key properties of 9-[3-(3-methylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazole?
9-[3-(3-methylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazole has a molecular weight of 374.44 g/mol, XLogP of 6.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(3-methylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 118874105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).