N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-imidazol-2-yl)benzamide

C25H25N5O — CID 42196745

About N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-imidazol-2-yl)benzamide

N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-imidazol-2-yl)benzamide (PubChem CID 42196745) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-imidazol-2-yl)benzamide.

Molecular Properties

• Compound Name: N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-imidazol-2-yl)benzamide
• PubChem CID: 42196745
• Molecular Formula: C25H25N5O
• Molecular Weight: 411.51 g/mol
• Exact Mass: 411.21
• IUPAC Name: N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-imidazol-2-yl)benzamide
• SMILES: Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2cccc(-c3ncc[nH]3)c2)cc1C
• InChI: InChI=1S/C25H25N5O/c1-16-9-10-20(13-17(16)2)30-23-8-4-7-22(21(23)15-28-30)29-25(31)19-6-3-5-18(14-19)24-26-11-12-27-24/h3,5-6,9-15,22H,4,7-8H2,1-2H3,(H,26,27)(H,29,31)/t22-/m1/s1
• InChIKey: IJSBQHGTHDXYJR-JOCHJYFZSA-N
• XLogP: 4.69
• TPSA: 75.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.51
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-imidazol-2-yl)benzamide?

The IUPAC name of N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-imidazol-2-yl)benzamide (CID 42196745) is N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-imidazol-2-yl)benzamide.

What is the SMILES notation for N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-imidazol-2-yl)benzamide?

The canonical SMILES for N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-imidazol-2-yl)benzamide is Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2cccc(-c3ncc[nH]3)c2)cc1C.

What is the InChIKey of N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-imidazol-2-yl)benzamide?

The InChIKey is IJSBQHGTHDXYJR-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H25N5O/c1-16-9-10-20(13-17(16)2)30-23-8-4-7-22(21(23)15-28-30)29-25(31)19-6-3-5-18(14-19)24-26-11-12-27-24/h3,5-6,9-15,22H,4,7-8H2,1-2H3,(H,26,27)(H,29,31)/t22-/m1/s1.

What are the key properties of N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-imidazol-2-yl)benzamide?

N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-imidazol-2-yl)benzamide has a molecular weight of 411.51 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-imidazol-2-yl)benzamide is sourced from PubChem (CID 42196745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).