2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide

C17H18N4OS — CID 1432472

IUPAC2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1ncccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C17H18N4OS/c1-11(2)19-15(22)10-23-17-12(6-5-9-18-17)16-20-13-7-3-4-8-14(13)21-16/h3-9,11H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyGTRYHIQSRNNXEK-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.24
Rot. Bonds5

About 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide

2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide (PubChem CID 1432472) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide
PubChem CID1432472
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1ncccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C17H18N4OS/c1-11(2)19-15(22)10-23-17-12(6-5-9-18-17)16-20-13-7-3-4-8-14(13)21-16/h3-9,11H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyGTRYHIQSRNNXEK-UHFFFAOYSA-N
XLogP3.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
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-propan-2-ylacetamide?
The IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide (CID 1432472) is 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide is CC(C)NC(=O)CSc1ncccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide?
The InChIKey is GTRYHIQSRNNXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-11(2)19-15(22)10-23-17-12(6-5-9-18-17)16-20-13-7-3-4-8-14(13)21-16/h3-9,11H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide?
2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide has a molecular weight of 326.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 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-propan-2-ylacetamide is sourced from PubChem (CID 1432472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).