2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide

C15H15N5O2S — CID 661801

IUPAC2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide
SMILESCCOc1ccc2nc(SCC(=O)Nc3ncccn3)[nH]c2c1
InChIInChI=1S/C15H15N5O2S/c1-2-22-10-4-5-11-12(8-10)19-15(18-11)23-9-13(21)20-14-16-6-3-7-17-14/h3-8H,2,9H2,1H3,(H,18,19)(H,16,17,20,21)
InChIKeyNMMHCGFXNXZBQN-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.48
Rot. Bonds6

About 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide

2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide (PubChem CID 661801) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide
PubChem CID661801
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide
SMILESCCOc1ccc2nc(SCC(=O)Nc3ncccn3)[nH]c2c1
InChIInChI=1S/C15H15N5O2S/c1-2-22-10-4-5-11-12(8-10)19-15(18-11)23-9-13(21)20-14-16-6-3-7-17-14/h3-8H,2,9H2,1H3,(H,18,19)(H,16,17,20,21)
InChIKeyNMMHCGFXNXZBQN-UHFFFAOYSA-N
XLogP2.48
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide (CID 661801) is 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide is CCOc1ccc2nc(SCC(=O)Nc3ncccn3)[nH]c2c1.
What is the InChIKey of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide?
The InChIKey is NMMHCGFXNXZBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-2-22-10-4-5-11-12(8-10)19-15(18-11)23-9-13(21)20-14-16-6-3-7-17-14/h3-8H,2,9H2,1H3,(H,18,19)(H,16,17,20,21).
What are the key properties of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide?
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide has a molecular weight of 329.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 661801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).