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

C16H11ClN4OS — CID 653645

IUPAC2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
SMILESClc1ccc2nc(SCc3nnc(-c4ccccc4)o3)[nH]c2c1
InChIInChI=1S/C16H11ClN4OS/c17-11-6-7-12-13(8-11)19-16(18-12)23-9-14-20-21-15(22-14)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKeyLJZDDVXSINJGQT-UHFFFAOYSA-N
MW342.81 g/mol
LogP4.56
Rot. Bonds4

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

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 653645) has the molecular formula C16H11ClN4OS and a molecular weight of 342.81 g/mol. Its IUPAC name is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID653645
Molecular FormulaC16H11ClN4OS
Molecular Weight342.81 g/mol
Exact Mass342.03
IUPAC Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
SMILESClc1ccc2nc(SCc3nnc(-c4ccccc4)o3)[nH]c2c1
InChIInChI=1S/C16H11ClN4OS/c17-11-6-7-12-13(8-11)19-16(18-12)23-9-14-20-21-15(22-14)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKeyLJZDDVXSINJGQT-UHFFFAOYSA-N
XLogP4.56
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-5-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 16506611
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-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3H-quinazolin-4-one
CID 135543455
2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 78762124
5-chloro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]aniline
CID 43251053
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile
CID 5145216
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136797619
2-(furan-2-yl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 7152403
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-3H-quinazolin-4-one
CID 135467361
2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole
CID 25331057
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 146025376

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole (CID 653645) is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole is Clc1ccc2nc(SCc3nnc(-c4ccccc4)o3)[nH]c2c1.
What is the InChIKey of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is LJZDDVXSINJGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4OS/c17-11-6-7-12-13(8-11)19-16(18-12)23-9-14-20-21-15(22-14)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19).
What are the key properties of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 342.81 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 653645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).