N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxamide

C24H25N5O3 — CID 122169357

About N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxamide

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxamide (PubChem CID 122169357) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxamide
• PubChem CID: 122169357
• Molecular Formula: C24H25N5O3
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.20
• IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxamide
• SMILES: COc1cc2c(cc1OC)-c1n[nH]c(C(=O)NC(c3nc4ccccc4[nH]3)C(C)C)c1C2
• InChI: InChI=1S/C24H25N5O3/c1-12(2)20(23-25-16-7-5-6-8-17(16)26-23)27-24(30)22-15-9-13-10-18(31-3)19(32-4)11-14(13)21(15)28-29-22/h5-8,10-12,20H,9H2,1-4H3,(H,25,26)(H,27,30)(H,28,29)
• InChIKey: BBLGFTAMNVMXFH-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 104.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxamide?

The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxamide (CID 122169357) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxamide.

What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxamide?

The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxamide is COc1cc2c(cc1OC)-c1n[nH]c(C(=O)NC(c3nc4ccccc4[nH]3)C(C)C)c1C2.

What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxamide?

The InChIKey is BBLGFTAMNVMXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-12(2)20(23-25-16-7-5-6-8-17(16)26-23)27-24(30)22-15-9-13-10-18(31-3)19(32-4)11-14(13)21(15)28-29-22/h5-8,10-12,20H,9H2,1-4H3,(H,25,26)(H,27,30)(H,28,29).

What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxamide?

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxamide is sourced from PubChem (CID 122169357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).