4-[5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenol

C16H12N4O2S — CID 135923343

IUPAC4-[5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESOc1ccc(-c2nnc(CSc3nc4ccccc4[nH]3)o2)cc1
InChIInChI=1S/C16H12N4O2S/c21-11-7-5-10(6-8-11)15-20-19-14(22-15)9-23-16-17-12-3-1-2-4-13(12)18-16/h1-8,21H,9H2,(H,17,18)
InChIKeyNFKAFYZLAJOHQN-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.61
Rot. Bonds4

About 4-[5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenol

4-[5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 135923343) has the molecular formula C16H12N4O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is 4-[5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID135923343
Molecular FormulaC16H12N4O2S
Molecular Weight324.37 g/mol
Exact Mass324.07
IUPAC Name4-[5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESOc1ccc(-c2nnc(CSc3nc4ccccc4[nH]3)o2)cc1
InChIInChI=1S/C16H12N4O2S/c21-11-7-5-10(6-8-11)15-20-19-14(22-15)9-23-16-17-12-3-1-2-4-13(12)18-16/h1-8,21H,9H2,(H,17,18)
InChIKeyNFKAFYZLAJOHQN-UHFFFAOYSA-N
XLogP3.61
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 35431011
2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole
CID 25331057
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 653645
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate
CID 39920834
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3H-quinazolin-4-one
CID 135543455
2-(4-bromophenyl)-5-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 16506611
4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]phenol
CID 61032229
2-(1H-benzimidazol-2-ylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 14738184
4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole
CID 31710146
[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol
CID 112630397
1-(1H-benzimidazol-2-yl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 66573857
2-(furan-2-yl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 7152403

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 4-[5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenol (CID 135923343) is 4-[5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 4-[5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 4-[5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenol is Oc1ccc(-c2nnc(CSc3nc4ccccc4[nH]3)o2)cc1.
What is the InChIKey of 4-[5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is NFKAFYZLAJOHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S/c21-11-7-5-10(6-8-11)15-20-19-14(22-15)9-23-16-17-12-3-1-2-4-13(12)18-16/h1-8,21H,9H2,(H,17,18).
What are the key properties of 4-[5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenol?
4-[5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 324.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 135923343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).