2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide

C18H19N3O2S — CID 742369

IUPAC2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
SMILESCOc1ccc2nc(SCC(=O)NCCc3ccccc3)[nH]c2c1
InChIInChI=1S/C18H19N3O2S/c1-23-14-7-8-15-16(11-14)21-18(20-15)24-12-17(22)19-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyDNGGMYTZDVPGCY-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.02
Rot. Bonds7

About 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide

2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 742369) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID742369
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
SMILESCOc1ccc2nc(SCC(=O)NCCc3ccccc3)[nH]c2c1
InChIInChI=1S/C18H19N3O2S/c1-23-14-7-8-15-16(11-14)21-18(20-15)24-12-17(22)19-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyDNGGMYTZDVPGCY-UHFFFAOYSA-N
XLogP3.02
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide (CID 742369) is 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide is COc1ccc2nc(SCC(=O)NCCc3ccccc3)[nH]c2c1.
What is the InChIKey of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is DNGGMYTZDVPGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-23-14-7-8-15-16(11-14)21-18(20-15)24-12-17(22)19-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide has a molecular weight of 341.44 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 742369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).