N-[(2R)-2-[[(3S,4R)-3-methoxy-4-(5-methyl-2-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide

C30H40N4O2 — CID 58852265

About N-[(2R)-2-[[(3S,4R)-3-methoxy-4-(5-methyl-2-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide

N-[(2R)-2-[[(3S,4R)-3-methoxy-4-(5-methyl-2-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide (PubChem CID 58852265) has the molecular formula C30H40N4O2 and a molecular weight of 488.68 g/mol. Its IUPAC name is N-[(2R)-2-[[(3S,4R)-3-methoxy-4-(5-methyl-2-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide.

Molecular Properties

• Compound Name: N-[(2R)-2-[[(3S,4R)-3-methoxy-4-(5-methyl-2-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide
• PubChem CID: 58852265
• Molecular Formula: C30H40N4O2
• Molecular Weight: 488.68 g/mol
• Exact Mass: 488.32
• IUPAC Name: N-[(2R)-2-[[(3S,4R)-3-methoxy-4-(5-methyl-2-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide
• SMILES: CCC(=O)Nc1ccc2c(c1)C[C@H](CN1CC[C@@H](n3c(C(C)C)nc4cc(C)ccc43)[C@@H](OC)C1)C2
• InChI: InChI=1S/C30H40N4O2/c1-6-29(35)31-24-9-8-22-14-21(15-23(22)16-24)17-33-12-11-27(28(18-33)36-5)34-26-10-7-20(4)13-25(26)32-30(34)19(2)3/h7-10,13,16,19,21,27-28H,6,11-12,14-15,17-18H2,1-5H3,(H,31,35)/t21-,27-,28+/m1/s1
• InChIKey: VGBFTXDWRWXJDH-FQNJNTOFSA-N
• XLogP: 5.49
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.68
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[[(3S,4R)-3-methoxy-4-(5-methyl-2-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide?

The IUPAC name of N-[(2R)-2-[[(3S,4R)-3-methoxy-4-(5-methyl-2-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide (CID 58852265) is N-[(2R)-2-[[(3S,4R)-3-methoxy-4-(5-methyl-2-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide.

What is the SMILES notation for N-[(2R)-2-[[(3S,4R)-3-methoxy-4-(5-methyl-2-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide?

The canonical SMILES for N-[(2R)-2-[[(3S,4R)-3-methoxy-4-(5-methyl-2-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide is CCC(=O)Nc1ccc2c(c1)C[C@H](CN1CC[C@@H](n3c(C(C)C)nc4cc(C)ccc43)[C@@H](OC)C1)C2.

What is the InChIKey of N-[(2R)-2-[[(3S,4R)-3-methoxy-4-(5-methyl-2-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide?

The InChIKey is VGBFTXDWRWXJDH-FQNJNTOFSA-N. The full InChI is InChI=1S/C30H40N4O2/c1-6-29(35)31-24-9-8-22-14-21(15-23(22)16-24)17-33-12-11-27(28(18-33)36-5)34-26-10-7-20(4)13-25(26)32-30(34)19(2)3/h7-10,13,16,19,21,27-28H,6,11-12,14-15,17-18H2,1-5H3,(H,31,35)/t21-,27-,28+/m1/s1.

What are the key properties of N-[(2R)-2-[[(3S,4R)-3-methoxy-4-(5-methyl-2-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide?

N-[(2R)-2-[[(3S,4R)-3-methoxy-4-(5-methyl-2-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide has a molecular weight of 488.68 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-[(2R)-2-[[(3S,4R)-3-methoxy-4-(5-methyl-2-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide is sourced from PubChem (CID 58852265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).