5-(1H-benzimidazol-2-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-benzoxazole

C16H10N6O — CID 142421175

IUPAC5-(1H-benzimidazol-2-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-benzoxazole
SMILESc1ccc2[nH]c(-c3ccc4oc(-c5ncn[nH]5)nc4c3)nc2c1
InChIInChI=1S/C16H10N6O/c1-2-4-11-10(3-1)19-14(20-11)9-5-6-13-12(7-9)21-16(23-13)15-17-8-18-22-15/h1-8H,(H,19,20)(H,17,18,22)
InChIKeyJLDVGUABGOIZPX-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.16
Rot. Bonds2

About 5-(1H-benzimidazol-2-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-benzoxazole

5-(1H-benzimidazol-2-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-benzoxazole (PubChem CID 142421175) has the molecular formula C16H10N6O and a molecular weight of 302.30 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-benzoxazole
PubChem CID142421175
Molecular FormulaC16H10N6O
Molecular Weight302.30 g/mol
Exact Mass302.09
IUPAC Name5-(1H-benzimidazol-2-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-benzoxazole
SMILESc1ccc2[nH]c(-c3ccc4oc(-c5ncn[nH]5)nc4c3)nc2c1
InChIInChI=1S/C16H10N6O/c1-2-4-11-10(3-1)19-14(20-11)9-5-6-13-12(7-9)21-16(23-13)15-17-8-18-22-15/h1-8H,(H,19,20)(H,17,18,22)
InChIKeyJLDVGUABGOIZPX-UHFFFAOYSA-N
XLogP3.16
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(1H-benzimidazol-2-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-benzoxazole with MolForge

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Related Compounds

2-(1H-benzimidazol-2-yl)-5-chloro-1,3-benzoxazole
CID 135692693
3-[3-(1H-benzimidazol-2-yl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 11451717
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[4-[12-[4-(1H-benzimidazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-benzoxazole
CID 157060243
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
6-(1H-benzimidazol-2-yl)-3-iodo-2H-indazole
CID 168555470
5-(1H-benzimidazol-2-yl)-2H-benzotriazole;molecular hydrogen
CID 145194821
5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-N,N-dimethylpyridin-3-amine
CID 122447513
2-(1H-benzimidazol-2-yl)-6-(6-fluoro-5-methoxy-3-pyridinyl)-1,3-benzoxazole
CID 122447487
2-[6-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1H-benzimidazole
CID 12045900
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-benzoxazole?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-benzoxazole (CID 142421175) is 5-(1H-benzimidazol-2-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-benzoxazole?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-benzoxazole is c1ccc2[nH]c(-c3ccc4oc(-c5ncn[nH]5)nc4c3)nc2c1.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-benzoxazole?
The InChIKey is JLDVGUABGOIZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6O/c1-2-4-11-10(3-1)19-14(20-11)9-5-6-13-12(7-9)21-16(23-13)15-17-8-18-22-15/h1-8H,(H,19,20)(H,17,18,22).
What are the key properties of 5-(1H-benzimidazol-2-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-benzoxazole?
5-(1H-benzimidazol-2-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-benzoxazole has a molecular weight of 302.30 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 142421175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).