2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylacetamide

C14H17N3OS — CID 756022

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylacetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)NC1CCCC1
InChIInChI=1S/C14H17N3OS/c18-13(15-10-5-1-2-6-10)9-19-14-16-11-7-3-4-8-12(11)17-14/h3-4,7-8,10H,1-2,5-6,9H2,(H,15,18)(H,16,17)
InChIKeyOFZIZUMEEKHZKY-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.71
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylacetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylacetamide (PubChem CID 756022) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylacetamide
PubChem CID756022
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylacetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)NC1CCCC1
InChIInChI=1S/C14H17N3OS/c18-13(15-10-5-1-2-6-10)9-19-14-16-11-7-3-4-8-12(11)17-14/h3-4,7-8,10H,1-2,5-6,9H2,(H,15,18)(H,16,17)
InChIKeyOFZIZUMEEKHZKY-UHFFFAOYSA-N
XLogP2.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylacetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylacetamide (CID 756022) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylacetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylacetamide is O=C(CSc1nc2ccccc2[nH]1)NC1CCCC1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylacetamide?
The InChIKey is OFZIZUMEEKHZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c18-13(15-10-5-1-2-6-10)9-19-14-16-11-7-3-4-8-12(11)17-14/h3-4,7-8,10H,1-2,5-6,9H2,(H,15,18)(H,16,17).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylacetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylacetamide has a molecular weight of 275.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylacetamide is sourced from PubChem (CID 756022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).