1H-benzimidazol-2-yl-[4-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone

C44H38N10O6 — CID 159244833

IUPAC1H-benzimidazol-2-yl-[4-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2N2CC[C@@H](O)C2)cc1)c1nc2ccccc2[nH]1.O=C(c1ccc(Oc2nccnc2N2CC[C@H](O)C2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/2C22H19N5O3/c2*28-15-9-12-27(13-15)21-22(24-11-10-23-21)30-16-7-5-14(6-8-16)19(29)20-25-17-3-1-2-4-18(17)26-20/h2*1-8,10-11,15,28H,9,12-13H2,(H,25,26)/t2*15-/m10/s1
InChIKeyKUNYYQQYCNEQBQ-ZWZQDMJTSA-N
MW802.85 g/mol
LogP5.89
Rot. Bonds10

About 1H-benzimidazol-2-yl-[4-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone

1H-benzimidazol-2-yl-[4-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone (PubChem CID 159244833) has the molecular formula C44H38N10O6 and a molecular weight of 802.85 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone
PubChem CID159244833
Molecular FormulaC44H38N10O6
Molecular Weight802.85 g/mol
Exact Mass802.30
IUPAC Name1H-benzimidazol-2-yl-[4-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2N2CC[C@@H](O)C2)cc1)c1nc2ccccc2[nH]1.O=C(c1ccc(Oc2nccnc2N2CC[C@H](O)C2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/2C22H19N5O3/c2*28-15-9-12-27(13-15)21-22(24-11-10-23-21)30-16-7-5-14(6-8-16)19(29)20-25-17-3-1-2-4-18(17)26-20/h2*1-8,10-11,15,28H,9,12-13H2,(H,25,26)/t2*15-/m10/s1
InChIKeyKUNYYQQYCNEQBQ-ZWZQDMJTSA-N
XLogP5.89
TPSA208.46 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500802.85
LogP ≤ 55.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

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

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Related Compounds

Amg 579
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1h-Benzimidazol-2-Yl(4-{[3-(Morpholin-4-Yl)pyrazin-2-Yl]oxy}phenyl)methanone
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CID 46208210
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CID 46208214
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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone (CID 159244833) is 1H-benzimidazol-2-yl-[4-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone is O=C(c1ccc(Oc2nccnc2N2CC[C@@H](O)C2)cc1)c1nc2ccccc2[nH]1.O=C(c1ccc(Oc2nccnc2N2CC[C@H](O)C2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone?
The InChIKey is KUNYYQQYCNEQBQ-ZWZQDMJTSA-N. The full InChI is InChI=1S/2C22H19N5O3/c2*28-15-9-12-27(13-15)21-22(24-11-10-23-21)30-16-7-5-14(6-8-16)19(29)20-25-17-3-1-2-4-18(17)26-20/h2*1-8,10-11,15,28H,9,12-13H2,(H,25,26)/t2*15-/m10/s1.
What are the key properties of 1H-benzimidazol-2-yl-[4-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone?
1H-benzimidazol-2-yl-[4-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone has a molecular weight of 802.85 g/mol, XLogP of 5.89, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone is sourced from PubChem (CID 159244833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).