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

C48H44N8O6 — CID 158143654

IUPAC1H-benzimidazol-2-yl-[4-[3-[(1R,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(1S,3S)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2[C@@H]2CCC[C@@H](O)C2)cc1)c1nc2ccccc2[nH]1.O=C(c1ccc(Oc2nccnc2[C@H]2CCC[C@H](O)C2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/2C24H22N4O3/c2*29-17-5-3-4-16(14-17)21-24(26-13-12-25-21)31-18-10-8-15(9-11-18)22(30)23-27-19-6-1-2-7-20(19)28-23/h2*1-2,6-13,16-17,29H,3-5,14H2,(H,27,28)/t2*16-,17-/m10/s1
InChIKeyFUGDMEINLUQWET-TYDMEHBZSA-N
MW828.93 g/mol
LogP8.79
Rot. Bonds10

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

1H-benzimidazol-2-yl-[4-[3-[(1R,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(1S,3S)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone (PubChem CID 158143654) has the molecular formula C48H44N8O6 and a molecular weight of 828.93 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[3-[(1R,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(1S,3S)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[3-[(1R,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(1S,3S)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone
PubChem CID158143654
Molecular FormulaC48H44N8O6
Molecular Weight828.93 g/mol
Exact Mass828.34
IUPAC Name1H-benzimidazol-2-yl-[4-[3-[(1R,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(1S,3S)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2[C@@H]2CCC[C@@H](O)C2)cc1)c1nc2ccccc2[nH]1.O=C(c1ccc(Oc2nccnc2[C@H]2CCC[C@H](O)C2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/2C24H22N4O3/c2*29-17-5-3-4-16(14-17)21-24(26-13-12-25-21)31-18-10-8-15(9-11-18)22(30)23-27-19-6-1-2-7-20(19)28-23/h2*1-2,6-13,16-17,29H,3-5,14H2,(H,27,28)/t2*16-,17-/m10/s1
InChIKeyFUGDMEINLUQWET-TYDMEHBZSA-N
XLogP8.79
TPSA201.98 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500828.93
LogP ≤ 58.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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

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Related Compounds

Amg 579
CID 59351313
1h-Benzimidazol-2-Yl(4-{[3-(Tetrahydro-2h-Pyran-4-Yl)pyridin-2-Yl]oxy}phenyl)methanone
CID 59326858
1h-Benzimidazol-2-Yl(4-{[3-(Morpholin-4-Yl)pyrazin-2-Yl]oxy}phenyl)methanone
CID 46207938
1-[3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59326903
1-[4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59327006
(1H-benzo[d]imidazol-2-yl)(4-(3-(tetrahydro-2H-pyran-4-yl)pyrazin-2-yloxy)phenyl)methanone
CID 59351198
(1H-benzo[d]imidazol-2-yl)(4-(3-(2-(trifluoromethyl)pyridin-4-yl)pyrazin-2-yloxy)phenyl)methanone
CID 46207696
1H-benzimidazol-2-yl-[4-[3-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone
CID 46207939
1H-benzimidazol-2-yl-[4-[3-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone
CID 46208071
1H-benzimidazol-2-yl-[4-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 46208072
1H-benzimidazol-2-yl-[4-[3-(4-methoxypiperidin-1-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 46208073
1H-benzimidazol-2-yl-[4-[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 46208209

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[3-[(1R,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(1S,3S)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[3-[(1R,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(1S,3S)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone (CID 158143654) is 1H-benzimidazol-2-yl-[4-[3-[(1R,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(1S,3S)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[3-[(1R,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(1S,3S)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[3-[(1R,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(1S,3S)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone is O=C(c1ccc(Oc2nccnc2[C@@H]2CCC[C@@H](O)C2)cc1)c1nc2ccccc2[nH]1.O=C(c1ccc(Oc2nccnc2[C@H]2CCC[C@H](O)C2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[3-[(1R,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(1S,3S)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone?
The InChIKey is FUGDMEINLUQWET-TYDMEHBZSA-N. The full InChI is InChI=1S/2C24H22N4O3/c2*29-17-5-3-4-16(14-17)21-24(26-13-12-25-21)31-18-10-8-15(9-11-18)22(30)23-27-19-6-1-2-7-20(19)28-23/h2*1-2,6-13,16-17,29H,3-5,14H2,(H,27,28)/t2*16-,17-/m10/s1.
What are the key properties of 1H-benzimidazol-2-yl-[4-[3-[(1R,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(1S,3S)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone?
1H-benzimidazol-2-yl-[4-[3-[(1R,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(1S,3S)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone has a molecular weight of 828.93 g/mol, XLogP of 8.79, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-[3-[(1R,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone;1H-benzimidazol-2-yl-[4-[3-[(1S,3S)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone is sourced from PubChem (CID 158143654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).