2-(1-benzylbenzimidazol-2-yl)sulfanylacetamide

C16H15N3OS — CID 872845

IUPAC2-(1-benzylbenzimidazol-2-yl)sulfanylacetamide
SMILESNC(=O)CSc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C16H15N3OS/c17-15(20)11-21-16-18-13-8-4-5-9-14(13)19(16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,17,20)
InChIKeyLMSIGQRNPSJZNZ-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.66
Rot. Bonds5

About 2-(1-benzylbenzimidazol-2-yl)sulfanylacetamide

2-(1-benzylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 872845) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(1-benzylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(1-benzylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID872845
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-(1-benzylbenzimidazol-2-yl)sulfanylacetamide
SMILESNC(=O)CSc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C16H15N3OS/c17-15(20)11-21-16-18-13-8-4-5-9-14(13)19(16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,17,20)
InChIKeyLMSIGQRNPSJZNZ-UHFFFAOYSA-N
XLogP2.66
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of 2-(1-benzylbenzimidazol-2-yl)sulfanylacetamide (CID 872845) is 2-(1-benzylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(1-benzylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(1-benzylbenzimidazol-2-yl)sulfanylacetamide is NC(=O)CSc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 2-(1-benzylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is LMSIGQRNPSJZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c17-15(20)11-21-16-18-13-8-4-5-9-14(13)19(16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,17,20).
What are the key properties of 2-(1-benzylbenzimidazol-2-yl)sulfanylacetamide?
2-(1-benzylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 297.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 872845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).