2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide

C19H16N4O2S — CID 656134

IUPAC2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1ncccc1-c1nc2ccccc2[nH]1)NCc1ccco1
InChIInChI=1S/C19H16N4O2S/c24-17(21-11-13-5-4-10-25-13)12-26-19-14(6-3-9-20-19)18-22-15-7-1-2-8-16(15)23-18/h1-10H,11-12H2,(H,21,24)(H,22,23)
InChIKeyVCKBPCVHHMGDQE-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.63
Rot. Bonds6

About 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide

2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 656134) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID656134
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1ncccc1-c1nc2ccccc2[nH]1)NCc1ccco1
InChIInChI=1S/C19H16N4O2S/c24-17(21-11-13-5-4-10-25-13)12-26-19-14(6-3-9-20-19)18-22-15-7-1-2-8-16(15)23-18/h1-10H,11-12H2,(H,21,24)(H,22,23)
InChIKeyVCKBPCVHHMGDQE-UHFFFAOYSA-N
XLogP3.63
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 656134) is 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)NCc1ccco1.
What is the InChIKey of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is VCKBPCVHHMGDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c24-17(21-11-13-5-4-10-25-13)12-26-19-14(6-3-9-20-19)18-22-15-7-1-2-8-16(15)23-18/h1-10H,11-12H2,(H,21,24)(H,22,23).
What are the key properties of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 364.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 656134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).