(5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone

C26H32N4O2 — CID 68513196

About (5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone

(5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone (PubChem CID 68513196) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is (5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone
• PubChem CID: 68513196
• Molecular Formula: C26H32N4O2
• Molecular Weight: 432.57 g/mol
• Exact Mass: 432.25
• IUPAC Name: (5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone
• SMILES: Cc1ccc2c(c1)nc(C(C)(C)O)n2C1CCN(C(=O)C2Cc3ccc(N)cc3C2)CC1
• InChI: InChI=1S/C26H32N4O2/c1-16-4-7-23-22(12-16)28-25(26(2,3)32)30(23)21-8-10-29(11-9-21)24(31)19-13-17-5-6-20(27)15-18(17)14-19/h4-7,12,15,19,21,32H,8-11,13-14,27H2,1-3H3
• InChIKey: CBZGXESGZKSNDH-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 84.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.57
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone?

The IUPAC name of (5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone (CID 68513196) is (5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone?

The canonical SMILES for (5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone is Cc1ccc2c(c1)nc(C(C)(C)O)n2C1CCN(C(=O)C2Cc3ccc(N)cc3C2)CC1.

What is the InChIKey of (5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone?

The InChIKey is CBZGXESGZKSNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-16-4-7-23-22(12-16)28-25(26(2,3)32)30(23)21-8-10-29(11-9-21)24(31)19-13-17-5-6-20(27)15-18(17)14-19/h4-7,12,15,19,21,32H,8-11,13-14,27H2,1-3H3.

What are the key properties of (5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone?

(5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 432.57 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-amino-2,3-dihydro-1H-inden-2-yl)-[4-[2-(2-hydroxypropan-2-yl)-5-methylbenzimidazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 68513196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).