2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-1,3-benzoxazole

C16H11N3O — CID 12820843

IUPAC2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-1,3-benzoxazole
SMILESC(=C/c1nc2ccccc2o1)\c1nc2ccccc2[nH]1
InChIInChI=1S/C16H11N3O/c1-2-6-12-11(5-1)17-15(18-12)9-10-16-19-13-7-3-4-8-14(13)20-16/h1-10H,(H,17,18)/b10-9+
InChIKeyYRLSCLIYRVRNPL-MDZDMXLPSA-N
MW261.28 g/mol
LogP3.87
Rot. Bonds2

About 2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-1,3-benzoxazole

2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-1,3-benzoxazole (PubChem CID 12820843) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-1,3-benzoxazole
PubChem CID12820843
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-1,3-benzoxazole
SMILESC(=C/c1nc2ccccc2o1)\c1nc2ccccc2[nH]1
InChIInChI=1S/C16H11N3O/c1-2-6-12-11(5-1)17-15(18-12)9-10-16-19-13-7-3-4-8-14(13)20-16/h1-10H,(H,17,18)/b10-9+
InChIKeyYRLSCLIYRVRNPL-MDZDMXLPSA-N
XLogP3.87
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[3,5,6-tris[2-(1,3-benzoxazol-2-yl)ethenyl]pyrazin-2-yl]ethenyl]-1,3-benzoxazole
CID 57286159
[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphane
CID 20732162
2-[(Z)-prop-1-enyl]-1H-benzimidazole
CID 6166899
2-[2-(1H-benzimidazol-2-yl)ethenyl]phenol
CID 137201342
4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline
CID 3147188
2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole
CID 6215281
2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
CID 6048083
4-[2-(1H-benzimidazol-2-yl)ethenyl]aniline
CID 2749986
4-[2-(1H-benzimidazol-2-yl)ethenyl]-1,2-oxazole
CID 67417408
3-(1H-benzimidazol-2-yl)prop-2-enoic acid
CID 4702151
2-[(E)-2-(2,4-difluorophenyl)ethenyl]-1H-benzimidazole
CID 132567925
2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole
CID 6213131

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-1,3-benzoxazole?
The IUPAC name of 2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-1,3-benzoxazole (CID 12820843) is 2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-1,3-benzoxazole is C(=C/c1nc2ccccc2o1)\c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-1,3-benzoxazole?
The InChIKey is YRLSCLIYRVRNPL-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H11N3O/c1-2-6-12-11(5-1)17-15(18-12)9-10-16-19-13-7-3-4-8-14(13)20-16/h1-10H,(H,17,18)/b10-9+.
What are the key properties of 2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-1,3-benzoxazole?
2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-1,3-benzoxazole has a molecular weight of 261.28 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-1,3-benzoxazole is sourced from PubChem (CID 12820843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).