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

C17H17N3O2S — CID 1075619

IUPACN-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc2nc(SCC(=O)NCc3ccccc3)[nH]c2c1
InChIInChI=1S/C17H17N3O2S/c1-22-13-7-8-14-15(9-13)20-17(19-14)23-11-16(21)18-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyKCWXWRINRSPPLX-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.98
Rot. Bonds6

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

N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 1075619) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID1075619
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc2nc(SCC(=O)NCc3ccccc3)[nH]c2c1
InChIInChI=1S/C17H17N3O2S/c1-22-13-7-8-14-15(9-13)20-17(19-14)23-11-16(21)18-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyKCWXWRINRSPPLX-UHFFFAOYSA-N
XLogP2.98
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 1075619) is N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide is COc1ccc2nc(SCC(=O)NCc3ccccc3)[nH]c2c1.
What is the InChIKey of N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is KCWXWRINRSPPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-22-13-7-8-14-15(9-13)20-17(19-14)23-11-16(21)18-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 327.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 1075619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).