N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide

C26H23N5O2S — CID 71194257

About N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 71194257) has the molecular formula C26H23N5O2S and a molecular weight of 469.57 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide
• PubChem CID: 71194257
• Molecular Formula: C26H23N5O2S
• Molecular Weight: 469.57 g/mol
• Exact Mass: 469.16
• IUPAC Name: N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide
• SMILES: CCc1nc(CNC(=O)c2ccc3nc(-c4cccc(-c5cccnc5OC)c4)[nH]c3c2)cs1
• InChI: InChI=1S/C26H23N5O2S/c1-3-23-29-19(15-34-23)14-28-25(32)18-9-10-21-22(13-18)31-24(30-21)17-7-4-6-16(12-17)20-8-5-11-27-26(20)33-2/h4-13,15H,3,14H2,1-2H3,(H,28,32)(H,30,31)
• InChIKey: HBNSFKNWCKRPIQ-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 92.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.57
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide?

The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide (CID 71194257) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide.

What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide?

The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide is CCc1nc(CNC(=O)c2ccc3nc(-c4cccc(-c5cccnc5OC)c4)[nH]c3c2)cs1.

What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide?

The InChIKey is HBNSFKNWCKRPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2S/c1-3-23-29-19(15-34-23)14-28-25(32)18-9-10-21-22(13-18)31-24(30-21)17-7-4-6-16(12-17)20-8-5-11-27-26(20)33-2/h4-13,15H,3,14H2,1-2H3,(H,28,32)(H,30,31).

What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide?

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 469.57 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 71194257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).