1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[(3-quinolin-5-yl-2-pyridinyl)oxy]phenyl]methanone

C56H36N8O4 — CID 71029052

IUPAC1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[(3-quinolin-5-yl-2-pyridinyl)oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2-c2cccc3ncccc23)cc1)c1nc2ccccc2[nH]1.O=C(c1ccc(Oc2ncccc2-c2ccnc3ccccc23)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/2C28H18N4O2/c33-26(27-31-24-9-1-2-10-25(24)32-27)18-12-14-19(15-13-18)34-28-22(8-5-17-30-28)20-6-3-11-23-21(20)7-4-16-29-23;33-26(27-31-24-9-3-4-10-25(24)32-27)18-11-13-19(14-12-18)34-28-22(7-5-16-30-28)20-15-17-29-23-8-2-1-6-21(20)23/h2*1-17H,(H,31,32)
InChIKeyXQKHUBRBCQXODR-UHFFFAOYSA-N
MW884.96 g/mol
LogP12.39
Rot. Bonds10

About 1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[(3-quinolin-5-yl-2-pyridinyl)oxy]phenyl]methanone

1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[(3-quinolin-5-yl-2-pyridinyl)oxy]phenyl]methanone (PubChem CID 71029052) has the molecular formula C56H36N8O4 and a molecular weight of 884.96 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[(3-quinolin-5-yl-2-pyridinyl)oxy]phenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[(3-quinolin-5-yl-2-pyridinyl)oxy]phenyl]methanone
PubChem CID71029052
Molecular FormulaC56H36N8O4
Molecular Weight884.96 g/mol
Exact Mass884.29
IUPAC Name1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[(3-quinolin-5-yl-2-pyridinyl)oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2-c2cccc3ncccc23)cc1)c1nc2ccccc2[nH]1.O=C(c1ccc(Oc2ncccc2-c2ccnc3ccccc23)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/2C28H18N4O2/c33-26(27-31-24-9-1-2-10-25(24)32-27)18-12-14-19(15-13-18)34-28-22(8-5-17-30-28)20-6-3-11-23-21(20)7-4-16-29-23;33-26(27-31-24-9-3-4-10-25(24)32-27)18-11-13-19(14-12-18)34-28-22(7-5-16-30-28)20-15-17-29-23-8-2-1-6-21(20)23/h2*1-17H,(H,31,32)
InChIKeyXQKHUBRBCQXODR-UHFFFAOYSA-N
XLogP12.39
TPSA161.52 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.96
LogP ≤ 512.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[(3-quinolin-5-yl-2-pyridinyl)oxy]phenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[(3-quinolin-5-yl-2-pyridinyl)oxy]phenyl]methanone (CID 71029052) is 1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[(3-quinolin-5-yl-2-pyridinyl)oxy]phenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[(3-quinolin-5-yl-2-pyridinyl)oxy]phenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[(3-quinolin-5-yl-2-pyridinyl)oxy]phenyl]methanone is O=C(c1ccc(Oc2ncccc2-c2cccc3ncccc23)cc1)c1nc2ccccc2[nH]1.O=C(c1ccc(Oc2ncccc2-c2ccnc3ccccc23)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[(3-quinolin-5-yl-2-pyridinyl)oxy]phenyl]methanone?
The InChIKey is XQKHUBRBCQXODR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H18N4O2/c33-26(27-31-24-9-1-2-10-25(24)32-27)18-12-14-19(15-13-18)34-28-22(8-5-17-30-28)20-6-3-11-23-21(20)7-4-16-29-23;33-26(27-31-24-9-3-4-10-25(24)32-27)18-11-13-19(14-12-18)34-28-22(7-5-16-30-28)20-15-17-29-23-8-2-1-6-21(20)23/h2*1-17H,(H,31,32).
What are the key properties of 1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[(3-quinolin-5-yl-2-pyridinyl)oxy]phenyl]methanone?
1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[(3-quinolin-5-yl-2-pyridinyl)oxy]phenyl]methanone has a molecular weight of 884.96 g/mol, XLogP of 12.39, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone;1H-benzimidazol-2-yl-[4-[(3-quinolin-5-yl-2-pyridinyl)oxy]phenyl]methanone is sourced from PubChem (CID 71029052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).