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

C16H15N3O2S — CID 2265051

IUPAC2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide
SMILESCOc1ccc2nc(SCC(=O)Nc3ccccc3)[nH]c2c1
InChIInChI=1S/C16H15N3O2S/c1-21-12-7-8-13-14(9-12)19-16(18-13)22-10-15(20)17-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyOQPNFPCQMIHCJI-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.30
Rot. Bonds5

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

2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide (PubChem CID 2265051) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide
PubChem CID2265051
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide
SMILESCOc1ccc2nc(SCC(=O)Nc3ccccc3)[nH]c2c1
InChIInChI=1S/C16H15N3O2S/c1-21-12-7-8-13-14(9-12)19-16(18-13)22-10-15(20)17-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyOQPNFPCQMIHCJI-UHFFFAOYSA-N
XLogP3.30
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.30
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-phenylacetamide?
The IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide (CID 2265051) is 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide is COc1ccc2nc(SCC(=O)Nc3ccccc3)[nH]c2c1.
What is the InChIKey of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is OQPNFPCQMIHCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-21-12-7-8-13-14(9-12)19-16(18-13)22-10-15(20)17-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide?
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 313.38 g/mol, XLogP of 3.30, 5 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-phenylacetamide is sourced from PubChem (CID 2265051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).