2-(3-benzylimidazol-4-yl)-1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(1H-imidazol-5-yl)ethanone;2-[(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenol;(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;1-[(8S)-8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(1H-imidazol-5-yl)propan-1-one

C119H149N25O8 — CID 158307149

About 2-(3-benzylimidazol-4-yl)-1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(1H-imidazol-5-yl)ethanone;2-[(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenol;(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;1-[(8S)-8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(1H-imidazol-5-yl)propan-1-one

2-(3-benzylimidazol-4-yl)-1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(1H-imidazol-5-yl)ethanone;2-[(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenol;(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;1-[(8S)-8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(1H-imidazol-5-yl)propan-1-one (PubChem CID 158307149) has the molecular formula C119H149N25O8 and a molecular weight of 2057.67 g/mol. Its IUPAC name is 2-(3-benzylimidazol-4-yl)-1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(1H-imidazol-5-yl)ethanone;2-[(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenol;(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;1-[(8S)-8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(1H-imidazol-5-yl)propan-1-one.

Molecular Properties

• Compound Name: 2-(3-benzylimidazol-4-yl)-1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(1H-imidazol-5-yl)ethanone;2-[(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenol;(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;1-[(8S)-8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(1H-imidazol-5-yl)propan-1-one
• PubChem CID: 158307149
• Molecular Formula: C119H149N25O8
• Molecular Weight: 2057.67 g/mol
• Exact Mass: 2056.20
• IUPAC Name: 2-(3-benzylimidazol-4-yl)-1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(1H-imidazol-5-yl)ethanone;2-[(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenol;(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;1-[(8S)-8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(1H-imidazol-5-yl)propan-1-one
• SMILES: CCC(C)[C@H]1c2nc(-c3ccccc3OC)cn2CCN1C(=O)Cc1cnc[nH]1.CCC(C)[C@H]1c2nc(-c3ccccc3OC)cn2CCN1C(=O)Cc1cncn1Cc1ccccc1.CCCC[C@H]1c2nc(-c3ccccc3O)cn2CCN1CCCc1cnc[nH]1.CCCC[C@H]1c2nc(-c3ccccc3OC)cn2CCN1C(=O)CCc1cnc[nH]1.CCCC[C@H]1c2nc(-c3ccccc3OC)cn2CCN1CCCc1cnc[nH]1
• InChI: InChI=1S/C29H33N5O2.C23H29N5O2.C23H31N5O.C22H27N5O2.C22H29N5O/c1-4-21(2)28-29-31-25(24-12-8-9-13-26(24)36-3)19-32(29)14-15-34(28)27(35)16-23-17-30-20-33(23)18-22-10-6-5-7-11-22;1-3-4-8-20-23-26-19(18-7-5-6-9-21(18)30-2)15-27(23)12-13-28(20)22(29)11-10-17-14-24-16-25-17;1-3-4-10-21-23-26-20(19-9-5-6-11-22(19)29-2)16-28(23)14-13-27(21)12-7-8-18-15-24-17-25-18;1-4-15(2)21-22-25-18(17-7-5-6-8-19(17)29-3)13-26(22)9-10-27(21)20(28)11-16-12-23-14-24-16;1-2-3-9-20-22-25-19(18-8-4-5-10-21(18)28)15-27(22)13-12-26(20)11-6-7-17-14-23-16-24-17/h5-13,17,19-21,28H,4,14-16,18H2,1-3H3;5-7,9,14-16,20H,3-4,8,10-13H2,1-2H3,(H,24,25);5-6,9,11,15-17,21H,3-4,7-8,10,12-14H2,1-2H3,(H,24,25);5-8,12-15,21H,4,9-11H2,1-3H3,(H,23,24);4-5,8,10,14-16,20,28H,2-3,6-7,9,11-13H2,1H3,(H,23,24)/t21?,28-;20-;21-;15?,21-;20-/m00000/s1
• InChIKey: GNFHYUXYDXZANT-OKGJNMEGSA-N
• XLogP: 21.04
• TPSA: 346.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 39
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2057.67
LogP ≤ 5	21.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylimidazol-4-yl)-1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(1H-imidazol-5-yl)ethanone;2-[(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenol;(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;1-[(8S)-8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(1H-imidazol-5-yl)propan-1-one?

The IUPAC name of 2-(3-benzylimidazol-4-yl)-1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(1H-imidazol-5-yl)ethanone;2-[(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenol;(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;1-[(8S)-8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(1H-imidazol-5-yl)propan-1-one (CID 158307149) is 2-(3-benzylimidazol-4-yl)-1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(1H-imidazol-5-yl)ethanone;2-[(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenol;(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;1-[(8S)-8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(1H-imidazol-5-yl)propan-1-one.

What is the SMILES notation for 2-(3-benzylimidazol-4-yl)-1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(1H-imidazol-5-yl)ethanone;2-[(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenol;(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;1-[(8S)-8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(1H-imidazol-5-yl)propan-1-one?

The canonical SMILES for 2-(3-benzylimidazol-4-yl)-1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(1H-imidazol-5-yl)ethanone;2-[(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenol;(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;1-[(8S)-8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(1H-imidazol-5-yl)propan-1-one is CCC(C)[C@H]1c2nc(-c3ccccc3OC)cn2CCN1C(=O)Cc1cnc[nH]1.CCC(C)[C@H]1c2nc(-c3ccccc3OC)cn2CCN1C(=O)Cc1cncn1Cc1ccccc1.CCCC[C@H]1c2nc(-c3ccccc3O)cn2CCN1CCCc1cnc[nH]1.CCCC[C@H]1c2nc(-c3ccccc3OC)cn2CCN1C(=O)CCc1cnc[nH]1.CCCC[C@H]1c2nc(-c3ccccc3OC)cn2CCN1CCCc1cnc[nH]1.

What is the InChIKey of 2-(3-benzylimidazol-4-yl)-1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(1H-imidazol-5-yl)ethanone;2-[(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenol;(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;1-[(8S)-8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(1H-imidazol-5-yl)propan-1-one?

The InChIKey is GNFHYUXYDXZANT-OKGJNMEGSA-N. The full InChI is InChI=1S/C29H33N5O2.C23H29N5O2.C23H31N5O.C22H27N5O2.C22H29N5O/c1-4-21(2)28-29-31-25(24-12-8-9-13-26(24)36-3)19-32(29)14-15-34(28)27(35)16-23-17-30-20-33(23)18-22-10-6-5-7-11-22;1-3-4-8-20-23-26-19(18-7-5-6-9-21(18)30-2)15-27(23)12-13-28(20)22(29)11-10-17-14-24-16-25-17;1-3-4-10-21-23-26-20(19-9-5-6-11-22(19)29-2)16-28(23)14-13-27(21)12-7-8-18-15-24-17-25-18;1-4-15(2)21-22-25-18(17-7-5-6-8-19(17)29-3)13-26(22)9-10-27(21)20(28)11-16-12-23-14-24-16;1-2-3-9-20-22-25-19(18-8-4-5-10-21(18)28)15-27(22)13-12-26(20)11-6-7-17-14-23-16-24-17/h5-13,17,19-21,28H,4,14-16,18H2,1-3H3;5-7,9,14-16,20H,3-4,8,10-13H2,1-2H3,(H,24,25);5-6,9,11,15-17,21H,3-4,7-8,10,12-14H2,1-2H3,(H,24,25);5-8,12-15,21H,4,9-11H2,1-3H3,(H,23,24);4-5,8,10,14-16,20,28H,2-3,6-7,9,11-13H2,1H3,(H,23,24)/t21?,28-;20-;21-;15?,21-;20-/m00000/s1.

What are the key properties of 2-(3-benzylimidazol-4-yl)-1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(1H-imidazol-5-yl)ethanone;2-[(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenol;(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;1-[(8S)-8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(1H-imidazol-5-yl)propan-1-one?

2-(3-benzylimidazol-4-yl)-1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(1H-imidazol-5-yl)ethanone;2-[(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenol;(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;1-[(8S)-8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(1H-imidazol-5-yl)propan-1-one has a molecular weight of 2057.67 g/mol, XLogP of 21.04, 39 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-benzylimidazol-4-yl)-1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;1-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(1H-imidazol-5-yl)ethanone;2-[(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenol;(8S)-8-butyl-7-[3-(1H-imidazol-5-yl)propyl]-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;1-[(8S)-8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(1H-imidazol-5-yl)propan-1-one is sourced from PubChem (CID 158307149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).