3-(1H-benzimidazol-2-yl)-5-[(E)-2-phenylethenyl]-1,2-oxazole

C18H13N3O — CID 135470365

IUPAC3-(1H-benzimidazol-2-yl)-5-[(E)-2-phenylethenyl]-1,2-oxazole
SMILESC(=C/c1cc(-c2nc3ccccc3[nH]2)no1)\c1ccccc1
InChIInChI=1S/C18H13N3O/c1-2-6-13(7-3-1)10-11-14-12-17(21-22-14)18-19-15-8-4-5-9-16(15)20-18/h1-12H,(H,19,20)/b11-10+
InChIKeyYMBLHYSTMIYIRO-ZHACJKMWSA-N
MW287.32 g/mol
LogP4.39
Rot. Bonds3

About 3-(1H-benzimidazol-2-yl)-5-[(E)-2-phenylethenyl]-1,2-oxazole

3-(1H-benzimidazol-2-yl)-5-[(E)-2-phenylethenyl]-1,2-oxazole (PubChem CID 135470365) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-5-[(E)-2-phenylethenyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-5-[(E)-2-phenylethenyl]-1,2-oxazole
PubChem CID135470365
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name3-(1H-benzimidazol-2-yl)-5-[(E)-2-phenylethenyl]-1,2-oxazole
SMILESC(=C/c1cc(-c2nc3ccccc3[nH]2)no1)\c1ccccc1
InChIInChI=1S/C18H13N3O/c1-2-6-13(7-3-1)10-11-14-12-17(21-22-14)18-19-15-8-4-5-9-16(15)20-18/h1-12H,(H,19,20)/b11-10+
InChIKeyYMBLHYSTMIYIRO-ZHACJKMWSA-N
XLogP4.39
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole
CID 135538073
2-(4,6-diphenyl-2-pyridinyl)-1H-benzimidazole
CID 4268760
2-[(E)-2-phenylethenyl]-10H-imidazo[4,5-b]phenazine
CID 137007125
zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
CID 16721057
2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 135804529
5-(1H-benzimidazol-2-yl)-3-methyl-1,2-oxazole
CID 135995577
2-phenyl-1H-benzimidazole;zinc
CID 174639851
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-(1H-benzimidazol-2-yl)quinoline
CID 646533
4-(1H-benzimidazol-2-yl)-6-[(E)-2-phenylethenyl]-6H-1,3-oxazin-2-amine
CID 11726830
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-5-[(E)-2-phenylethenyl]-1,2-oxazole?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-5-[(E)-2-phenylethenyl]-1,2-oxazole (CID 135470365) is 3-(1H-benzimidazol-2-yl)-5-[(E)-2-phenylethenyl]-1,2-oxazole.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-5-[(E)-2-phenylethenyl]-1,2-oxazole?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-5-[(E)-2-phenylethenyl]-1,2-oxazole is C(=C/c1cc(-c2nc3ccccc3[nH]2)no1)\c1ccccc1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-5-[(E)-2-phenylethenyl]-1,2-oxazole?
The InChIKey is YMBLHYSTMIYIRO-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H13N3O/c1-2-6-13(7-3-1)10-11-14-12-17(21-22-14)18-19-15-8-4-5-9-16(15)20-18/h1-12H,(H,19,20)/b11-10+.
What are the key properties of 3-(1H-benzimidazol-2-yl)-5-[(E)-2-phenylethenyl]-1,2-oxazole?
3-(1H-benzimidazol-2-yl)-5-[(E)-2-phenylethenyl]-1,2-oxazole has a molecular weight of 287.32 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-5-[(E)-2-phenylethenyl]-1,2-oxazole is sourced from PubChem (CID 135470365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).