[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-di(pyrazin-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrazin-2-yl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-5-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol
C124H108FN29O10S — CID 158469087
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-di(pyrazin-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrazin-2-yl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-5-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol
SMILESCc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2ccccn2)c2nc(C3CC3)[nH]c2c1F.Cc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2cnccn2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2nccs2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(C(O)(c2cnccn2)c2cnccn2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(C(O)(c2cncnc2)c2ccccn2)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C26H22FN5O2.2C25H22N6O2.C24H21N7O2.C24H21N5O2S/c1-14-21(15(2)34-32-14)17-13-18(23-24(22(17)27)31-25(30-23)16-9-10-16)26(33,19-7-3-5-11-28-19)20-8-4-6-12-29-20;1-14-22(15(2)33-31-14)17-9-19(23-20(10-17)29-24(30-23)16-6-7-16)25(32,18-11-26-13-27-12-18)21-5-3-4-8-28-21;1-14-22(15(2)33-31-14)17-11-18(23-19(12-17)29-24(30-23)16-6-7-16)25(32,20-5-3-4-8-27-20)21-13-26-9-10-28-21;1-13-21(14(2)33-31-13)16-9-17(22-18(10-16)29-23(30-22)15-3-4-15)24(32,19-11-25-5-7-27-19)20-12-26-6-8-28-20;1-13-20(14(2)31-29-13)16-11-17(21-18(12-16)27-22(28-21)15-6-7-15)24(30,23-26-9-10-32-23)19-5-3-4-8-25-19/h3-8,11-13,16,33H,9-10H2,1-2H3,(H,30,31);2*3-5,8-13,16,32H,6-7H2,1-2H3,(H,29,30);5-12,15,32H,3-4H2,1-2H3,(H,29,30);3-5,8-12,15,30H,6-7H2,1-2H3,(H,27,28)
InChIKeyHGCWRIUETAKGHJ-UHFFFAOYSA-N
MW2215.49 g/mol
LogP21.71
Rot. Bonds25
About [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-di(pyrazin-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrazin-2-yl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-5-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol
[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-di(pyrazin-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrazin-2-yl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-5-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol (PubChem CID 158469087) has the molecular formula C124H108FN29O10S and a molecular weight of 2215.49 g/mol. Its IUPAC name is [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-di(pyrazin-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrazin-2-yl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-5-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol.
Molecular Properties
| Compound Name | [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-di(pyrazin-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrazin-2-yl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-5-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol |
|---|---|
| PubChem CID | 158469087 |
| Molecular Formula | C124H108FN29O10S |
| Molecular Weight | 2215.49 g/mol |
| Exact Mass | 2213.85 |
| IUPAC Name | [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-di(pyrazin-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrazin-2-yl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-5-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol |
| SMILES | Cc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2ccccn2)c2nc(C3CC3)[nH]c2c1F.Cc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2cnccn2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2nccs2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(C(O)(c2cnccn2)c2cnccn2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(C(O)(c2cncnc2)c2ccccn2)c2nc(C3CC3)[nH]c2c1 |
| InChI | InChI=1S/C26H22FN5O2.2C25H22N6O2.C24H21N7O2.C24H21N5O2S/c1-14-21(15(2)34-32-14)17-13-18(23-24(22(17)27)31-25(30-23)16-9-10-16)26(33,19-7-3-5-11-28-19)20-8-4-6-12-29-20;1-14-22(15(2)33-31-14)17-9-19(23-20(10-17)29-24(30-23)16-6-7-16)25(32,18-11-26-13-27-12-18)21-5-3-4-8-28-21;1-14-22(15(2)33-31-14)17-11-18(23-19(12-17)29-24(30-23)16-6-7-16)25(32,20-5-3-4-8-27-20)21-13-26-9-10-28-21;1-13-21(14(2)33-31-13)16-9-17(22-18(10-16)29-23(30-22)15-3-4-15)24(32,19-11-25-5-7-27-19)20-12-26-6-8-28-20;1-13-20(14(2)31-29-13)16-11-17(21-18(12-16)27-22(28-21)15-6-7-15)24(30,23-26-9-10-32-23)19-5-3-4-8-25-19/h3-8,11-13,16,33H,9-10H2,1-2H3,(H,30,31);2*3-5,8-13,16,32H,6-7H2,1-2H3,(H,29,30);5-12,15,32H,3-4H2,1-2H3,(H,29,30);3-5,8-12,15,30H,6-7H2,1-2H3,(H,27,28) |
| InChIKey | HGCWRIUETAKGHJ-UHFFFAOYSA-N |
| XLogP | 21.71 |
| TPSA | 555.16 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 165 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2215.49 |
| LogP ≤ 5 | 21.71 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 35 |
Frequently Asked Questions
What is the IUPAC name of [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-di(pyrazin-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrazin-2-yl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-5-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol?
The IUPAC name of [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-di(pyrazin-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrazin-2-yl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-5-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol (CID 158469087) is [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-di(pyrazin-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrazin-2-yl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-5-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol.
What is the SMILES notation for [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-di(pyrazin-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrazin-2-yl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-5-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol?
The canonical SMILES for [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-di(pyrazin-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrazin-2-yl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-5-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol is Cc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2ccccn2)c2nc(C3CC3)[nH]c2c1F.Cc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2cnccn2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2nccs2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(C(O)(c2cnccn2)c2cnccn2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(C(O)(c2cncnc2)c2ccccn2)c2nc(C3CC3)[nH]c2c1.
What is the InChIKey of [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-di(pyrazin-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrazin-2-yl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-5-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol?
The InChIKey is HGCWRIUETAKGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O2.2C25H22N6O2.C24H21N7O2.C24H21N5O2S/c1-14-21(15(2)34-32-14)17-13-18(23-24(22(17)27)31-25(30-23)16-9-10-16)26(33,19-7-3-5-11-28-19)20-8-4-6-12-29-20;1-14-22(15(2)33-31-14)17-9-19(23-20(10-17)29-24(30-23)16-6-7-16)25(32,18-11-26-13-27-12-18)21-5-3-4-8-28-21;1-14-22(15(2)33-31-14)17-11-18(23-19(12-17)29-24(30-23)16-6-7-16)25(32,20-5-3-4-8-27-20)21-13-26-9-10-28-21;1-13-21(14(2)33-31-13)16-9-17(22-18(10-16)29-23(30-22)15-3-4-15)24(32,19-11-25-5-7-27-19)20-12-26-6-8-28-20;1-13-20(14(2)31-29-13)16-11-17(21-18(12-16)27-22(28-21)15-6-7-15)24(30,23-26-9-10-32-23)19-5-3-4-8-25-19/h3-8,11-13,16,33H,9-10H2,1-2H3,(H,30,31);2*3-5,8-13,16,32H,6-7H2,1-2H3,(H,29,30);5-12,15,32H,3-4H2,1-2H3,(H,29,30);3-5,8-12,15,30H,6-7H2,1-2H3,(H,27,28).
What are the key properties of [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-di(pyrazin-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrazin-2-yl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-5-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol?
[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-di(pyrazin-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrazin-2-yl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-5-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol has a molecular weight of 2215.49 g/mol, XLogP of 21.71, 25 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-di(pyrazin-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyrazin-2-yl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-5-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-(1,3-thiazol-2-yl)methanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol is sourced from PubChem (CID 158469087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158469087 — identifiers, structure, computed properties (public domain)
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