2-phenyl-5-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole

C27H19N5O — CID 90841212

IUPAC2-phenyl-5-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(Cn4c(-c5ccccn5)nc5ccccc54)cc3)o2)cc1
InChIInChI=1S/C27H19N5O/c1-2-8-20(9-3-1)26-30-31-27(33-26)21-15-13-19(14-16-21)18-32-24-12-5-4-10-22(24)29-25(32)23-11-6-7-17-28-23/h1-17H,18H2
InChIKeyTUMSRGBNIIGKEA-UHFFFAOYSA-N
MW429.48 g/mol
LogP5.86
Rot. Bonds5

About 2-phenyl-5-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole

2-phenyl-5-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole (PubChem CID 90841212) has the molecular formula C27H19N5O and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-phenyl-5-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole
PubChem CID90841212
Molecular FormulaC27H19N5O
Molecular Weight429.48 g/mol
Exact Mass429.16
IUPAC Name2-phenyl-5-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(Cn4c(-c5ccccn5)nc5ccccc54)cc3)o2)cc1
InChIInChI=1S/C27H19N5O/c1-2-8-20(9-3-1)26-30-31-27(33-26)21-15-13-19(14-16-21)18-32-24-12-5-4-10-22(24)29-25(32)23-11-6-7-17-28-23/h1-17H,18H2
InChIKeyTUMSRGBNIIGKEA-UHFFFAOYSA-N
XLogP5.86
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 4-[[3-[[1-(2-dimethylaminoethyl)benzimidazol-2-yl]methyl]-2-oxo-benzimidazol-1-yl]methyl]benzoate
CID 15956499
5-[4-(1,5-dimethylpyrazol-4-yl)-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 156596357
1-((5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl)methyl)-2-(morpholinomethyl)-1H-benzimidazole (5g)
CID 126842585
6-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6H-indolo[2,3-b]quinoxaline
CID 2234193
2-[(5,7-Dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 2998168
2-Methyl-1-[4-(5-phenyl-[1,3,4]oxadiazol-2-yl)-phenyl]-1H-imidazo[4,5-c]pyridine
CID 10405802
2-[4-[[2-Propyl-5-(1-propylbenzimidazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]phenyl]benzoic acid
CID 76328690
Methyl 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoate
CID 118723476
2-[4-(3-Cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole
CID 118723483
2-[4-(3-Cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-1,3,4-oxadiazole
CID 118723494
2-(4-Chlorophenyl)-5-[[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazole
CID 156013884
2-(4-Nitrophenyl)-5-[[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazole
CID 156014564

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole (CID 90841212) is 2-phenyl-5-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccc(Cn4c(-c5ccccn5)nc5ccccc54)cc3)o2)cc1.
What is the InChIKey of 2-phenyl-5-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is TUMSRGBNIIGKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N5O/c1-2-8-20(9-3-1)26-30-31-27(33-26)21-15-13-19(14-16-21)18-32-24-12-5-4-10-22(24)29-25(32)23-11-6-7-17-28-23/h1-17H,18H2.
What are the key properties of 2-phenyl-5-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole?
2-phenyl-5-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 429.48 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 90841212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).