2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

C12H10ClN5O2S — CID 6461447

IUPAC2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C12H10ClN5O2S/c1-6-11(18-20-17-6)16-10(19)5-21-12-14-8-3-2-7(13)4-9(8)15-12/h2-4H,5H2,1H3,(H,14,15)(H,16,18,19)
InChIKeyYSRQQVXGSGXCND-UHFFFAOYSA-N
MW323.77 g/mol
LogP2.64
Rot. Bonds4

About 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 6461447) has the molecular formula C12H10ClN5O2S and a molecular weight of 323.77 g/mol. Its IUPAC name is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID6461447
Molecular FormulaC12H10ClN5O2S
Molecular Weight323.77 g/mol
Exact Mass323.02
IUPAC Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C12H10ClN5O2S/c1-6-11(18-20-17-6)16-10(19)5-21-12-14-8-3-2-7(13)4-9(8)15-12/h2-4H,5H2,1H3,(H,14,15)(H,16,18,19)
InChIKeyYSRQQVXGSGXCND-UHFFFAOYSA-N
XLogP2.64
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.77
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 6461447) is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is Cc1nonc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is YSRQQVXGSGXCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O2S/c1-6-11(18-20-17-6)16-10(19)5-21-12-14-8-3-2-7(13)4-9(8)15-12/h2-4H,5H2,1H3,(H,14,15)(H,16,18,19).
What are the key properties of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 323.77 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 6461447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).