3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole

C16H12N4O — CID 122231731

IUPAC3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole
SMILESCn1cnc2cc(-c3noc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C16H12N4O/c1-20-10-17-13-9-12(7-8-14(13)20)15-18-16(21-19-15)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyHIMJIOZMTISCSF-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.29
Rot. Bonds2

About 3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole

3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole (PubChem CID 122231731) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole
PubChem CID122231731
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole
SMILESCn1cnc2cc(-c3noc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C16H12N4O/c1-20-10-17-13-9-12(7-8-14(13)20)15-18-16(21-19-15)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyHIMJIOZMTISCSF-UHFFFAOYSA-N
XLogP3.29
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(benzylsulfonylmethyl)phenyl]-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030804
5-(2-ethoxyphenyl)-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030827
[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117330229
N-[1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 22586339
3-(difluoromethyl)-5-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 167771887
5-(4-chlorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030877
5-(4-ethoxyphenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030936
5-(2-fluorophenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030953
5-(5-bromofuran-2-yl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030861
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
5-[(3,4-diethoxyphenyl)methyl]-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030841
N-[(1S)-2-methyl-1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
CID 92502530

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole (CID 122231731) is 3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole is Cn1cnc2cc(-c3noc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole?
The InChIKey is HIMJIOZMTISCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-20-10-17-13-9-12(7-8-14(13)20)15-18-16(21-19-15)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole?
3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole has a molecular weight of 276.30 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 122231731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).