2-(1H-benzimidazol-2-yl)-6-(3-methyl-2H-indazol-5-yl)-1,3-benzoxazole

C22H15N5O — CID 122447479

IUPAC2-(1H-benzimidazol-2-yl)-6-(3-methyl-2H-indazol-5-yl)-1,3-benzoxazole
SMILESCc1[nH]nc2ccc(-c3ccc4nc(-c5nc6ccccc6[nH]5)oc4c3)cc12
InChIInChI=1S/C22H15N5O/c1-12-15-10-13(6-8-16(15)27-26-12)14-7-9-19-20(11-14)28-22(25-19)21-23-17-4-2-3-5-18(17)24-21/h2-11H,1H3,(H,23,24)(H,26,27)
InChIKeyJGZUUAKZCJQUHG-UHFFFAOYSA-N
MW365.40 g/mol
LogP5.22
Rot. Bonds2

About 2-(1H-benzimidazol-2-yl)-6-(3-methyl-2H-indazol-5-yl)-1,3-benzoxazole

2-(1H-benzimidazol-2-yl)-6-(3-methyl-2H-indazol-5-yl)-1,3-benzoxazole (PubChem CID 122447479) has the molecular formula C22H15N5O and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-6-(3-methyl-2H-indazol-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-6-(3-methyl-2H-indazol-5-yl)-1,3-benzoxazole
PubChem CID122447479
Molecular FormulaC22H15N5O
Molecular Weight365.40 g/mol
Exact Mass365.13
IUPAC Name2-(1H-benzimidazol-2-yl)-6-(3-methyl-2H-indazol-5-yl)-1,3-benzoxazole
SMILESCc1[nH]nc2ccc(-c3ccc4nc(-c5nc6ccccc6[nH]5)oc4c3)cc12
InChIInChI=1S/C22H15N5O/c1-12-15-10-13(6-8-16(15)27-26-12)14-7-9-19-20(11-14)28-22(25-19)21-23-17-4-2-3-5-18(17)24-21/h2-11H,1H3,(H,23,24)(H,26,27)
InChIKeyJGZUUAKZCJQUHG-UHFFFAOYSA-N
XLogP5.22
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.40
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-6-(3-methyl-2H-indazol-5-yl)-1,3-benzoxazole?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-6-(3-methyl-2H-indazol-5-yl)-1,3-benzoxazole (CID 122447479) is 2-(1H-benzimidazol-2-yl)-6-(3-methyl-2H-indazol-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-6-(3-methyl-2H-indazol-5-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-6-(3-methyl-2H-indazol-5-yl)-1,3-benzoxazole is Cc1[nH]nc2ccc(-c3ccc4nc(-c5nc6ccccc6[nH]5)oc4c3)cc12.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-6-(3-methyl-2H-indazol-5-yl)-1,3-benzoxazole?
The InChIKey is JGZUUAKZCJQUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O/c1-12-15-10-13(6-8-16(15)27-26-12)14-7-9-19-20(11-14)28-22(25-19)21-23-17-4-2-3-5-18(17)24-21/h2-11H,1H3,(H,23,24)(H,26,27).
What are the key properties of 2-(1H-benzimidazol-2-yl)-6-(3-methyl-2H-indazol-5-yl)-1,3-benzoxazole?
2-(1H-benzimidazol-2-yl)-6-(3-methyl-2H-indazol-5-yl)-1,3-benzoxazole has a molecular weight of 365.40 g/mol, XLogP of 5.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-6-(3-methyl-2H-indazol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 122447479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).