2-(4-bromophenyl)-5-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole

C16H10BrClN4OS — CID 16506611

IUPAC2-(4-bromophenyl)-5-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESClc1ccc2nc(SCc3nnc(-c4ccc(Br)cc4)o3)[nH]c2c1
InChIInChI=1S/C16H10BrClN4OS/c17-10-3-1-9(2-4-10)15-22-21-14(23-15)8-24-16-19-12-6-5-11(18)7-13(12)20-16/h1-7H,8H2,(H,19,20)
InChIKeyVOJYEAZDBRICBY-UHFFFAOYSA-N
MW421.71 g/mol
LogP5.32
Rot. Bonds4

About 2-(4-bromophenyl)-5-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole

2-(4-bromophenyl)-5-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 16506611) has the molecular formula C16H10BrClN4OS and a molecular weight of 421.71 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID16506611
Molecular FormulaC16H10BrClN4OS
Molecular Weight421.71 g/mol
Exact Mass419.94
IUPAC Name2-(4-bromophenyl)-5-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESClc1ccc2nc(SCc3nnc(-c4ccc(Br)cc4)o3)[nH]c2c1
InChIInChI=1S/C16H10BrClN4OS/c17-10-3-1-9(2-4-10)15-22-21-14(23-15)8-24-16-19-12-6-5-11(18)7-13(12)20-16/h1-7H,8H2,(H,19,20)
InChIKeyVOJYEAZDBRICBY-UHFFFAOYSA-N
XLogP5.32
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.71
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromophenyl)-5-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole 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-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 653645
4-[5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenol
CID 135923343
2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 35431011
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 146025376
2-(4-chlorophenyl)-5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 2080446
2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole
CID 25331057
2-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 7940489
2-(furan-2-yl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 7152403
2-(4-bromophenyl)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 16535773
2-(4-bromophenyl)-5-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 16505698
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile
CID 5145216
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3H-quinazolin-4-one
CID 135543455

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-bromophenyl)-5-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole (CID 16506611) is 2-(4-bromophenyl)-5-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-bromophenyl)-5-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole is Clc1ccc2nc(SCc3nnc(-c4ccc(Br)cc4)o3)[nH]c2c1.
What is the InChIKey of 2-(4-bromophenyl)-5-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is VOJYEAZDBRICBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClN4OS/c17-10-3-1-9(2-4-10)15-22-21-14(23-15)8-24-16-19-12-6-5-11(18)7-13(12)20-16/h1-7H,8H2,(H,19,20).
What are the key properties of 2-(4-bromophenyl)-5-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
2-(4-bromophenyl)-5-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 421.71 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 16506611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).