(5R)-1-[[(2S)-1-[(2R)-2-[(4R)-2-imino-3-(4-methylpentyl)-4-propylimidazolidin-1-yl]-3-phenylpropyl]pyrrolidin-2-yl]methyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine

C33H57N7 — CID 164809660

About (5R)-1-[[(2S)-1-[(2R)-2-[(4R)-2-imino-3-(4-methylpentyl)-4-propylimidazolidin-1-yl]-3-phenylpropyl]pyrrolidin-2-yl]methyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine

(5R)-1-[[(2S)-1-[(2R)-2-[(4R)-2-imino-3-(4-methylpentyl)-4-propylimidazolidin-1-yl]-3-phenylpropyl]pyrrolidin-2-yl]methyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine (PubChem CID 164809660) has the molecular formula C33H57N7 and a molecular weight of 551.87 g/mol. Its IUPAC name is (5R)-1-[[(2S)-1-[(2R)-2-[(4R)-2-imino-3-(4-methylpentyl)-4-propylimidazolidin-1-yl]-3-phenylpropyl]pyrrolidin-2-yl]methyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

• Compound Name: (5R)-1-[[(2S)-1-[(2R)-2-[(4R)-2-imino-3-(4-methylpentyl)-4-propylimidazolidin-1-yl]-3-phenylpropyl]pyrrolidin-2-yl]methyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
• PubChem CID: 164809660
• Molecular Formula: C33H57N7
• Molecular Weight: 551.87 g/mol
• Exact Mass: 551.47
• IUPAC Name: (5R)-1-[[(2S)-1-[(2R)-2-[(4R)-2-imino-3-(4-methylpentyl)-4-propylimidazolidin-1-yl]-3-phenylpropyl]pyrrolidin-2-yl]methyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
• SMILES: [H]/N=C1\N(CCCC(C)C)[C@H](CCC)CN1[C@H](Cc1ccccc1)CN1CCC[C@H]1CN1C(N)=NC[C@H]1CC(C)C
• InChI: InChI=1S/C33H57N7/c1-6-12-29-24-40(33(35)38(29)18-10-13-25(2)3)31(20-27-14-8-7-9-15-27)22-37-17-11-16-28(37)23-39-30(19-26(4)5)21-36-32(39)34/h7-9,14-15,25-26,28-31,35H,6,10-13,16-24H2,1-5H3,(H2,34,36)/b35-33+/t28-,29+,30+,31+/m0/s1
• InChIKey: YMRHXQUYECZYJX-RWCWASRISA-N
• XLogP: 5.26
• TPSA: 75.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.87
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[[(2S)-1-[(2R)-2-[(4R)-2-imino-3-(4-methylpentyl)-4-propylimidazolidin-1-yl]-3-phenylpropyl]pyrrolidin-2-yl]methyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?

The IUPAC name of (5R)-1-[[(2S)-1-[(2R)-2-[(4R)-2-imino-3-(4-methylpentyl)-4-propylimidazolidin-1-yl]-3-phenylpropyl]pyrrolidin-2-yl]methyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine (CID 164809660) is (5R)-1-[[(2S)-1-[(2R)-2-[(4R)-2-imino-3-(4-methylpentyl)-4-propylimidazolidin-1-yl]-3-phenylpropyl]pyrrolidin-2-yl]methyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine.

What is the SMILES notation for (5R)-1-[[(2S)-1-[(2R)-2-[(4R)-2-imino-3-(4-methylpentyl)-4-propylimidazolidin-1-yl]-3-phenylpropyl]pyrrolidin-2-yl]methyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?

The canonical SMILES for (5R)-1-[[(2S)-1-[(2R)-2-[(4R)-2-imino-3-(4-methylpentyl)-4-propylimidazolidin-1-yl]-3-phenylpropyl]pyrrolidin-2-yl]methyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine is [H]/N=C1\N(CCCC(C)C)[C@H](CCC)CN1[C@H](Cc1ccccc1)CN1CCC[C@H]1CN1C(N)=NC[C@H]1CC(C)C.

What is the InChIKey of (5R)-1-[[(2S)-1-[(2R)-2-[(4R)-2-imino-3-(4-methylpentyl)-4-propylimidazolidin-1-yl]-3-phenylpropyl]pyrrolidin-2-yl]methyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?

The InChIKey is YMRHXQUYECZYJX-RWCWASRISA-N. The full InChI is InChI=1S/C33H57N7/c1-6-12-29-24-40(33(35)38(29)18-10-13-25(2)3)31(20-27-14-8-7-9-15-27)22-37-17-11-16-28(37)23-39-30(19-26(4)5)21-36-32(39)34/h7-9,14-15,25-26,28-31,35H,6,10-13,16-24H2,1-5H3,(H2,34,36)/b35-33+/t28-,29+,30+,31+/m0/s1.

What are the key properties of (5R)-1-[[(2S)-1-[(2R)-2-[(4R)-2-imino-3-(4-methylpentyl)-4-propylimidazolidin-1-yl]-3-phenylpropyl]pyrrolidin-2-yl]methyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?

(5R)-1-[[(2S)-1-[(2R)-2-[(4R)-2-imino-3-(4-methylpentyl)-4-propylimidazolidin-1-yl]-3-phenylpropyl]pyrrolidin-2-yl]methyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 551.87 g/mol, XLogP of 5.26, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-1-[[(2S)-1-[(2R)-2-[(4R)-2-imino-3-(4-methylpentyl)-4-propylimidazolidin-1-yl]-3-phenylpropyl]pyrrolidin-2-yl]methyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 164809660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).