(S)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol;(R)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol

C48H38N10O6 — CID 160693208

IUPAC(S)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol;(R)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol
SMILESCOc1ncccc1-c1nccnc1Oc1ccc([C@@H](O)c2nc3ccccc3[nH]2)cc1.COc1ncccc1-c1nccnc1Oc1ccc([C@H](O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/2C24H19N5O3/c2*1-31-23-17(5-4-12-26-23)20-24(27-14-13-25-20)32-16-10-8-15(9-11-16)21(30)22-28-18-6-2-3-7-19(18)29-22/h2*2-14,21,30H,1H3,(H,28,29)/t2*21-/m10/s1
InChIKeyRPRCUSGSDXDOPA-FUAXNEBDSA-N
MW850.90 g/mol
LogP8.60
Rot. Bonds12

About (S)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol;(R)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol

(S)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol;(R)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol (PubChem CID 160693208) has the molecular formula C48H38N10O6 and a molecular weight of 850.90 g/mol. Its IUPAC name is (S)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol;(R)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol.

Molecular Properties

Compound Name(S)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol;(R)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol
PubChem CID160693208
Molecular FormulaC48H38N10O6
Molecular Weight850.90 g/mol
Exact Mass850.30
IUPAC Name(S)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol;(R)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol
SMILESCOc1ncccc1-c1nccnc1Oc1ccc([C@@H](O)c2nc3ccccc3[nH]2)cc1.COc1ncccc1-c1nccnc1Oc1ccc([C@H](O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/2C24H19N5O3/c2*1-31-23-17(5-4-12-26-23)20-24(27-14-13-25-20)32-16-10-8-15(9-11-16)21(30)22-28-18-6-2-3-7-19(18)29-22/h2*2-14,21,30H,1H3,(H,28,29)/t2*21-/m10/s1
InChIKeyRPRCUSGSDXDOPA-FUAXNEBDSA-N
XLogP8.60
TPSA212.08 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500850.90
LogP ≤ 58.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze (S)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol;(R)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol with MolForge

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Related Compounds

1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-1-ium-2-yl]oxyphenyl]methanol
CID 91802043
1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanol
CID 143998201
1H-benzimidazol-2-yl-[4-[[3-(3-methoxy-2-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326938
1-[4-[3-[4-[1H-benzimidazol-2-yl(hydroxy)methyl]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 59351312
2-[[4-[3-(2-methyl-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methyl]-1H-benzimidazole
CID 70893680
(6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 89433863
1H-benzimidazol-2-yl-(4-chlorophenyl)methanol
CID 21125
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
(4-methoxyphenyl)-(2-methoxy-3-pyridinyl)methanol
CID 22934973
1H-benzimidazol-2-yl-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59327120
1H-benzimidazol-2-yl(cyclopenta-1,4-dien-1-yl)methanol
CID 91928092
1H-benzimidazol-2-yl-(3,4-dimethoxy-5-nitrophenyl)methanol
CID 21459115

Frequently Asked Questions

What is the IUPAC name of (S)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol;(R)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol?
The IUPAC name of (S)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol;(R)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol (CID 160693208) is (S)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol;(R)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol.
What is the SMILES notation for (S)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol;(R)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol?
The canonical SMILES for (S)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol;(R)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol is COc1ncccc1-c1nccnc1Oc1ccc([C@@H](O)c2nc3ccccc3[nH]2)cc1.COc1ncccc1-c1nccnc1Oc1ccc([C@H](O)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of (S)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol;(R)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol?
The InChIKey is RPRCUSGSDXDOPA-FUAXNEBDSA-N. The full InChI is InChI=1S/2C24H19N5O3/c2*1-31-23-17(5-4-12-26-23)20-24(27-14-13-25-20)32-16-10-8-15(9-11-16)21(30)22-28-18-6-2-3-7-19(18)29-22/h2*2-14,21,30H,1H3,(H,28,29)/t2*21-/m10/s1.
What are the key properties of (S)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol;(R)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol?
(S)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol;(R)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol has a molecular weight of 850.90 g/mol, XLogP of 8.60, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol;(R)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol is sourced from PubChem (CID 160693208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).