2-(2-methyl-3-pyridinyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-benzimidazole-4-carboxamide

C22H22N6O2S — CID 58279154

About 2-(2-methyl-3-pyridinyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-benzimidazole-4-carboxamide

2-(2-methyl-3-pyridinyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 58279154) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is 2-(2-methyl-3-pyridinyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2-methyl-3-pyridinyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-benzimidazole-4-carboxamide
• PubChem CID: 58279154
• Molecular Formula: C22H22N6O2S
• Molecular Weight: 434.53 g/mol
• Exact Mass: 434.15
• IUPAC Name: 2-(2-methyl-3-pyridinyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-benzimidazole-4-carboxamide
• SMILES: Cc1ncccc1-c1nc2c(C(=O)Nc3nc(CN4CCOCC4)cs3)cccc2[nH]1
• InChI: InChI=1S/C22H22N6O2S/c1-14-16(5-3-7-23-14)20-25-18-6-2-4-17(19(18)26-20)21(29)27-22-24-15(13-31-22)12-28-8-10-30-11-9-28/h2-7,13H,8-12H2,1H3,(H,25,26)(H,24,27,29)
• InChIKey: VYGMHJZTTLKJFZ-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 96.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.53
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-pyridinyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-benzimidazole-4-carboxamide?

The IUPAC name of 2-(2-methyl-3-pyridinyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-benzimidazole-4-carboxamide (CID 58279154) is 2-(2-methyl-3-pyridinyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-benzimidazole-4-carboxamide.

What is the SMILES notation for 2-(2-methyl-3-pyridinyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-benzimidazole-4-carboxamide?

The canonical SMILES for 2-(2-methyl-3-pyridinyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-benzimidazole-4-carboxamide is Cc1ncccc1-c1nc2c(C(=O)Nc3nc(CN4CCOCC4)cs3)cccc2[nH]1.

What is the InChIKey of 2-(2-methyl-3-pyridinyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-benzimidazole-4-carboxamide?

The InChIKey is VYGMHJZTTLKJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c1-14-16(5-3-7-23-14)20-25-18-6-2-4-17(19(18)26-20)21(29)27-22-24-15(13-31-22)12-28-8-10-30-11-9-28/h2-7,13H,8-12H2,1H3,(H,25,26)(H,24,27,29).

What are the key properties of 2-(2-methyl-3-pyridinyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-benzimidazole-4-carboxamide?

2-(2-methyl-3-pyridinyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 434.53 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methyl-3-pyridinyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58279154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).