N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide

C23H23N3OS — CID 7025718

About N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide

N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide (PubChem CID 7025718) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
• PubChem CID: 7025718
• Molecular Formula: C23H23N3OS
• Molecular Weight: 389.52 g/mol
• Exact Mass: 389.16
• IUPAC Name: N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
• SMILES: Cc1ccc(C)c(Cn2c([C@@H](C)NC(=O)c3cccs3)nc3ccccc32)c1
• InChI: InChI=1S/C23H23N3OS/c1-15-10-11-16(2)18(13-15)14-26-20-8-5-4-7-19(20)25-22(26)17(3)24-23(27)21-9-6-12-28-21/h4-13,17H,14H2,1-3H3,(H,24,27)/t17-/m1/s1
• InChIKey: DMKVDIBMOCIPAK-QGZVFWFLSA-N
• XLogP: 5.25
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	389.52
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?

The IUPAC name of N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide (CID 7025718) is N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?

The canonical SMILES for N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide is Cc1ccc(C)c(Cn2c([C@@H](C)NC(=O)c3cccs3)nc3ccccc32)c1.

What is the InChIKey of N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?

The InChIKey is DMKVDIBMOCIPAK-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H23N3OS/c1-15-10-11-16(2)18(13-15)14-26-20-8-5-4-7-19(20)25-22(26)17(3)24-23(27)21-9-6-12-28-21/h4-13,17H,14H2,1-3H3,(H,24,27)/t17-/m1/s1.

What are the key properties of N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?

N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 7025718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).