N-[2-[[(3R,4R)-4-(2-cyclopropyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-2-methylpropanamide

C31H40N4O2 — CID 68849648

About N-[2-[[(3R,4R)-4-(2-cyclopropyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-2-methylpropanamide

N-[2-[[(3R,4R)-4-(2-cyclopropyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-2-methylpropanamide (PubChem CID 68849648) has the molecular formula C31H40N4O2 and a molecular weight of 500.69 g/mol. Its IUPAC name is N-[2-[[(3R,4R)-4-(2-cyclopropyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[2-[[(3R,4R)-4-(2-cyclopropyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-2-methylpropanamide
• PubChem CID: 68849648
• Molecular Formula: C31H40N4O2
• Molecular Weight: 500.69 g/mol
• Exact Mass: 500.32
• IUPAC Name: N-[2-[[(3R,4R)-4-(2-cyclopropyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-2-methylpropanamide
• SMILES: CO[C@@H]1CN(CC2Cc3ccc(NC(=O)C(C)C)cc3C2)CC[C@H]1n1c(C2CC2)nc2cc(C)ccc21
• InChI: InChI=1S/C31H40N4O2/c1-19(2)31(36)32-25-9-8-23-14-21(15-24(23)16-25)17-34-12-11-28(29(18-34)37-4)35-27-10-5-20(3)13-26(27)33-30(35)22-6-7-22/h5,8-10,13,16,19,21-22,28-29H,6-7,11-12,14-15,17-18H2,1-4H3,(H,32,36)/t21?,28-,29-/m1/s1
• InChIKey: BAKHWCGTUCRCCD-FNBNAARFSA-N
• XLogP: 5.49
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.69
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3R,4R)-4-(2-cyclopropyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-2-methylpropanamide?

The IUPAC name of N-[2-[[(3R,4R)-4-(2-cyclopropyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-2-methylpropanamide (CID 68849648) is N-[2-[[(3R,4R)-4-(2-cyclopropyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-2-methylpropanamide.

What is the SMILES notation for N-[2-[[(3R,4R)-4-(2-cyclopropyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-2-methylpropanamide?

The canonical SMILES for N-[2-[[(3R,4R)-4-(2-cyclopropyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-2-methylpropanamide is CO[C@@H]1CN(CC2Cc3ccc(NC(=O)C(C)C)cc3C2)CC[C@H]1n1c(C2CC2)nc2cc(C)ccc21.

What is the InChIKey of N-[2-[[(3R,4R)-4-(2-cyclopropyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-2-methylpropanamide?

The InChIKey is BAKHWCGTUCRCCD-FNBNAARFSA-N. The full InChI is InChI=1S/C31H40N4O2/c1-19(2)31(36)32-25-9-8-23-14-21(15-24(23)16-25)17-34-12-11-28(29(18-34)37-4)35-27-10-5-20(3)13-26(27)33-30(35)22-6-7-22/h5,8-10,13,16,19,21-22,28-29H,6-7,11-12,14-15,17-18H2,1-4H3,(H,32,36)/t21?,28-,29-/m1/s1.

What are the key properties of N-[2-[[(3R,4R)-4-(2-cyclopropyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-2-methylpropanamide?

N-[2-[[(3R,4R)-4-(2-cyclopropyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-2-methylpropanamide has a molecular weight of 500.69 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[(3R,4R)-4-(2-cyclopropyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-2-methylpropanamide is sourced from PubChem (CID 68849648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).