1,3-benzoxazole;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole

C33H24N4O2 — CID 19833308

IUPAC1,3-benzoxazole;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc3ccccc3[nH]2)cc1.c1ccc(-c2nc3ccccc3o2)cc1.c1ccc2ocnc2c1
InChIInChI=1S/C13H10N2.C13H9NO.C7H5NO/c2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-2-4-7-6(3-1)8-5-9-7/h1-9H,(H,14,15);1-9H;1-5H
InChIKeyBBSZXNPSBBRXSP-UHFFFAOYSA-N
MW508.58 g/mol
LogP8.55
Rot. Bonds2

About 1,3-benzoxazole;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole

1,3-benzoxazole;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole (PubChem CID 19833308) has the molecular formula C33H24N4O2 and a molecular weight of 508.58 g/mol. Its IUPAC name is 1,3-benzoxazole;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name1,3-benzoxazole;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole
PubChem CID19833308
Molecular FormulaC33H24N4O2
Molecular Weight508.58 g/mol
Exact Mass508.19
IUPAC Name1,3-benzoxazole;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc3ccccc3[nH]2)cc1.c1ccc(-c2nc3ccccc3o2)cc1.c1ccc2ocnc2c1
InChIInChI=1S/C13H10N2.C13H9NO.C7H5NO/c2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-2-4-7-6(3-1)8-5-9-7/h1-9H,(H,14,15);1-9H;1-5H
InChIKeyBBSZXNPSBBRXSP-UHFFFAOYSA-N
XLogP8.55
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.58
LogP ≤ 58.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazole;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole?
The IUPAC name of 1,3-benzoxazole;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole (CID 19833308) is 1,3-benzoxazole;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 1,3-benzoxazole;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole?
The canonical SMILES for 1,3-benzoxazole;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole is c1ccc(-c2nc3ccccc3[nH]2)cc1.c1ccc(-c2nc3ccccc3o2)cc1.c1ccc2ocnc2c1.
What is the InChIKey of 1,3-benzoxazole;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole?
The InChIKey is BBSZXNPSBBRXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2.C13H9NO.C7H5NO/c2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-2-4-7-6(3-1)8-5-9-7/h1-9H,(H,14,15);1-9H;1-5H.
What are the key properties of 1,3-benzoxazole;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole?
1,3-benzoxazole;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole has a molecular weight of 508.58 g/mol, XLogP of 8.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazole;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 19833308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).