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

C24H22N4O3 — CID 59351182

IUPAC1H-benzimidazol-2-yl-[4-[3-[(1S,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2[C@H]2CCC[C@@H](O)C2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H22N4O3/c29-17-5-3-4-16(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/h1-2,6-13,16-17,29H,3-5,14H2,(H,27,28)/t16-,17+/m0/s1
InChIKeyVIZVTXGNPQLHRZ-DLBZAZTESA-N
MW414.47 g/mol
LogP4.39
Rot. Bonds5

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

1H-benzimidazol-2-yl-[4-[3-[(1S,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone (PubChem CID 59351182) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[3-[(1S,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[3-[(1S,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone
PubChem CID59351182
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name1H-benzimidazol-2-yl-[4-[3-[(1S,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2nccnc2[C@H]2CCC[C@@H](O)C2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H22N4O3/c29-17-5-3-4-16(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/h1-2,6-13,16-17,29H,3-5,14H2,(H,27,28)/t16-,17+/m0/s1
InChIKeyVIZVTXGNPQLHRZ-DLBZAZTESA-N
XLogP4.39
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[3-[(1S,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[3-[(1S,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone (CID 59351182) is 1H-benzimidazol-2-yl-[4-[3-[(1S,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[3-[(1S,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[3-[(1S,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone is 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-[(1S,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone?
The InChIKey is VIZVTXGNPQLHRZ-DLBZAZTESA-N. The full InChI is InChI=1S/C24H22N4O3/c29-17-5-3-4-16(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/h1-2,6-13,16-17,29H,3-5,14H2,(H,27,28)/t16-,17+/m0/s1.
What are the key properties of 1H-benzimidazol-2-yl-[4-[3-[(1S,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone?
1H-benzimidazol-2-yl-[4-[3-[(1S,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone has a molecular weight of 414.47 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-[3-[(1S,3R)-3-hydroxycyclohexyl]pyrazin-2-yl]oxyphenyl]methanone is sourced from PubChem (CID 59351182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).