N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide

C20H26N4O2S — CID 91823687

About N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide

N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 91823687) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide
• PubChem CID: 91823687
• Molecular Formula: C20H26N4O2S
• Molecular Weight: 386.52 g/mol
• Exact Mass: 386.18
• IUPAC Name: N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide
• SMILES: COCCn1c(C(C)NC(=O)c2nc(C)sc2C(C)C)nc2ccccc21
• InChI: InChI=1S/C20H26N4O2S/c1-12(2)18-17(22-14(4)27-18)20(25)21-13(3)19-23-15-8-6-7-9-16(15)24(19)10-11-26-5/h6-9,12-13H,10-11H2,1-5H3,(H,21,25)
• InChIKey: FRCHEHAZRQBOTD-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.52
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide (CID 91823687) is N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide is COCCn1c(C(C)NC(=O)c2nc(C)sc2C(C)C)nc2ccccc21.

What is the InChIKey of N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide?

The InChIKey is FRCHEHAZRQBOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-12(2)18-17(22-14(4)27-18)20(25)21-13(3)19-23-15-8-6-7-9-16(15)24(19)10-11-26-5/h6-9,12-13H,10-11H2,1-5H3,(H,21,25).

What are the key properties of N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide?

N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91823687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).