3-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]-1,2-oxazole

C19H13N5O — CID 54165301

IUPAC3-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]-1,2-oxazole
SMILESc1cc(-n2ccnc2)cc(-n2cnc3cc(-c4ccon4)ccc32)c1
InChIInChI=1S/C19H13N5O/c1-2-15(23-8-7-20-12-23)11-16(3-1)24-13-21-18-10-14(4-5-19(18)24)17-6-9-25-22-17/h1-13H
InChIKeyORFXUIIJBAFJID-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.87
Rot. Bonds3

About 3-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]-1,2-oxazole

3-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]-1,2-oxazole (PubChem CID 54165301) has the molecular formula C19H13N5O and a molecular weight of 327.35 g/mol. Its IUPAC name is 3-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]-1,2-oxazole
PubChem CID54165301
Molecular FormulaC19H13N5O
Molecular Weight327.35 g/mol
Exact Mass327.11
IUPAC Name3-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]-1,2-oxazole
SMILESc1cc(-n2ccnc2)cc(-n2cnc3cc(-c4ccon4)ccc32)c1
InChIInChI=1S/C19H13N5O/c1-2-15(23-8-7-20-12-23)11-16(3-1)24-13-21-18-10-14(4-5-19(18)24)17-6-9-25-22-17/h1-13H
InChIKeyORFXUIIJBAFJID-UHFFFAOYSA-N
XLogP3.87
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]-1,2-oxazole?
The IUPAC name of 3-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]-1,2-oxazole (CID 54165301) is 3-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 3-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]-1,2-oxazole?
The canonical SMILES for 3-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]-1,2-oxazole is c1cc(-n2ccnc2)cc(-n2cnc3cc(-c4ccon4)ccc32)c1.
What is the InChIKey of 3-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]-1,2-oxazole?
The InChIKey is ORFXUIIJBAFJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O/c1-2-15(23-8-7-20-12-23)11-16(3-1)24-13-21-18-10-14(4-5-19(18)24)17-6-9-25-22-17/h1-13H.
What are the key properties of 3-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]-1,2-oxazole?
3-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]-1,2-oxazole has a molecular weight of 327.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 54165301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).