2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-dimethylacetamide

C18H19N3OS — CID 851291

IUPAC2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C18H19N3OS/c1-20(2)17(22)13-23-18-19-15-10-6-7-11-16(15)21(18)12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3
InChIKeyXWAUVRUFQPURRF-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.26
Rot. Bonds5

About 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-dimethylacetamide

2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-dimethylacetamide (PubChem CID 851291) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-dimethylacetamide
PubChem CID851291
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C18H19N3OS/c1-20(2)17(22)13-23-18-19-15-10-6-7-11-16(15)21(18)12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3
InChIKeyXWAUVRUFQPURRF-UHFFFAOYSA-N
XLogP3.26
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-dimethylacetamide?
The IUPAC name of 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-dimethylacetamide (CID 851291) is 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-dimethylacetamide?
The canonical SMILES for 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-dimethylacetamide is CN(C)C(=O)CSc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-dimethylacetamide?
The InChIKey is XWAUVRUFQPURRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-20(2)17(22)13-23-18-19-15-10-6-7-11-16(15)21(18)12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3.
What are the key properties of 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-dimethylacetamide?
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-dimethylacetamide has a molecular weight of 325.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-dimethylacetamide is sourced from PubChem (CID 851291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).