2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide

C26H27N5O2S — CID 167635052

About 2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide

2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide (PubChem CID 167635052) has the molecular formula C26H27N5O2S and a molecular weight of 473.60 g/mol. Its IUPAC name is 2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 167635052
• Molecular Formula: C26H27N5O2S
• Molecular Weight: 473.60 g/mol
• Exact Mass: 473.19
• IUPAC Name: 2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
• SMILES: CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCC(NC(=O)c2cnc(C)s2)C1
• InChI: InChI=1S/C26H27N5O2S/c1-3-23(32)17-10-11-22-21(13-17)30-25(20-9-4-5-12-27-20)31(22)19-8-6-7-18(14-19)29-26(33)24-15-28-16(2)34-24/h4-5,9-13,15,18-19H,3,6-8,14H2,1-2H3,(H,29,33)
• InChIKey: NFOMUTCMBGZMII-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 89.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.60
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide (CID 167635052) is 2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide is CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCC(NC(=O)c2cnc(C)s2)C1.

What is the InChIKey of 2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide?

The InChIKey is NFOMUTCMBGZMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2S/c1-3-23(32)17-10-11-22-21(13-17)30-25(20-9-4-5-12-27-20)31(22)19-8-6-7-18(14-19)29-26(33)24-15-28-16(2)34-24/h4-5,9-13,15,18-19H,3,6-8,14H2,1-2H3,(H,29,33).

What are the key properties of 2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide?

2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167635052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).