4-[2-(1H-benzimidazol-2-yl)ethenyl]-1,2-oxazole

C12H9N3O — CID 67417408

IUPAC4-[2-(1H-benzimidazol-2-yl)ethenyl]-1,2-oxazole
SMILESC(=Cc1nc2ccccc2[nH]1)c1cnoc1
InChIInChI=1S/C12H9N3O/c1-2-4-11-10(3-1)14-12(15-11)6-5-9-7-13-16-8-9/h1-8H,(H,14,15)
InChIKeyIZYCVFGXIVCCET-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.72
Rot. Bonds2

About 4-[2-(1H-benzimidazol-2-yl)ethenyl]-1,2-oxazole

4-[2-(1H-benzimidazol-2-yl)ethenyl]-1,2-oxazole (PubChem CID 67417408) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-[2-(1H-benzimidazol-2-yl)ethenyl]-1,2-oxazole.

Molecular Properties

Compound Name4-[2-(1H-benzimidazol-2-yl)ethenyl]-1,2-oxazole
PubChem CID67417408
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name4-[2-(1H-benzimidazol-2-yl)ethenyl]-1,2-oxazole
SMILESC(=Cc1nc2ccccc2[nH]1)c1cnoc1
InChIInChI=1S/C12H9N3O/c1-2-4-11-10(3-1)14-12(15-11)6-5-9-7-13-16-8-9/h1-8H,(H,14,15)
InChIKeyIZYCVFGXIVCCET-UHFFFAOYSA-N
XLogP2.72
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1H-benzimidazol-2-yl)ethenyl]aniline
CID 2749986
2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
CID 6048083
[(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
2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-1,3-benzoxazole
CID 12820843
2-[2-(3-nitrophenyl)ethenyl]-1H-benzimidazole;hydrochloride
CID 71966072
2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1H-benzimidazole
CID 141198526
2-[(E)-2-(2,4-difluorophenyl)ethenyl]-1H-benzimidazole
CID 132567925
3-(1H-benzimidazol-2-yl)prop-2-enoic acid
CID 4702151
6-chloro-2-(2-phenylethenyl)-1H-benzimidazole
CID 73193180
[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphonic acid
CID 23453413

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-benzimidazol-2-yl)ethenyl]-1,2-oxazole?
The IUPAC name of 4-[2-(1H-benzimidazol-2-yl)ethenyl]-1,2-oxazole (CID 67417408) is 4-[2-(1H-benzimidazol-2-yl)ethenyl]-1,2-oxazole.
What is the SMILES notation for 4-[2-(1H-benzimidazol-2-yl)ethenyl]-1,2-oxazole?
The canonical SMILES for 4-[2-(1H-benzimidazol-2-yl)ethenyl]-1,2-oxazole is C(=Cc1nc2ccccc2[nH]1)c1cnoc1.
What is the InChIKey of 4-[2-(1H-benzimidazol-2-yl)ethenyl]-1,2-oxazole?
The InChIKey is IZYCVFGXIVCCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c1-2-4-11-10(3-1)14-12(15-11)6-5-9-7-13-16-8-9/h1-8H,(H,14,15).
What are the key properties of 4-[2-(1H-benzimidazol-2-yl)ethenyl]-1,2-oxazole?
4-[2-(1H-benzimidazol-2-yl)ethenyl]-1,2-oxazole has a molecular weight of 211.22 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-benzimidazol-2-yl)ethenyl]-1,2-oxazole is sourced from PubChem (CID 67417408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).