N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C19H19N5O3S — CID 46266261

About N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 46266261) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 46266261
• Molecular Formula: C19H19N5O3S
• Molecular Weight: 397.46 g/mol
• Exact Mass: 397.12
• IUPAC Name: N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• SMILES: Cc1occc1-c1nnc(SCC(=O)NC(C)c2nc3ccccc3n2C)o1
• InChI: InChI=1S/C19H19N5O3S/c1-11(17-21-14-6-4-5-7-15(14)24(17)3)20-16(25)10-28-19-23-22-18(27-19)13-8-9-26-12(13)2/h4-9,11H,10H2,1-3H3,(H,20,25)
• InChIKey: LCHYYMZJIBADGB-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 98.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.46
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 46266261) is N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

What is the SMILES notation for N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The canonical SMILES for N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1occc1-c1nnc(SCC(=O)NC(C)c2nc3ccccc3n2C)o1.

What is the InChIKey of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The InChIKey is LCHYYMZJIBADGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-11(17-21-14-6-4-5-7-15(14)24(17)3)20-16(25)10-28-19-23-22-18(27-19)13-8-9-26-12(13)2/h4-9,11H,10H2,1-3H3,(H,20,25).

What are the key properties of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 397.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 46266261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).