2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N,N-diethylacetamide

C18H20N4OS — CID 1432270

IUPAC2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1ncccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C18H20N4OS/c1-3-22(4-2)16(23)12-24-18-13(8-7-11-19-18)17-20-14-9-5-6-10-15(14)21-17/h5-11H,3-4,12H2,1-2H3,(H,20,21)
InChIKeyOZTNEFQTCGHSJO-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.59
Rot. Bonds6

About 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N,N-diethylacetamide

2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N,N-diethylacetamide (PubChem CID 1432270) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N,N-diethylacetamide
PubChem CID1432270
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1ncccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C18H20N4OS/c1-3-22(4-2)16(23)12-24-18-13(8-7-11-19-18)17-20-14-9-5-6-10-15(14)21-17/h5-11H,3-4,12H2,1-2H3,(H,20,21)
InChIKeyOZTNEFQTCGHSJO-UHFFFAOYSA-N
XLogP3.59
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N,N-diethylacetamide?
The IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N,N-diethylacetamide (CID 1432270) is 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N,N-diethylacetamide is CCN(CC)C(=O)CSc1ncccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N,N-diethylacetamide?
The InChIKey is OZTNEFQTCGHSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-3-22(4-2)16(23)12-24-18-13(8-7-11-19-18)17-20-14-9-5-6-10-15(14)21-17/h5-11H,3-4,12H2,1-2H3,(H,20,21).
What are the key properties of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N,N-diethylacetamide?
2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N,N-diethylacetamide has a molecular weight of 340.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N,N-diethylacetamide is sourced from PubChem (CID 1432270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).