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

C28H18N4O2 — CID 46215374

IUPAC1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2-c2ccnc3ccccc23)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C28H18N4O2/c33-26(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/h1-17H,(H,31,32)
InChIKeyHWRTUAYLKPDZRX-UHFFFAOYSA-N
MW442.48 g/mol
LogP6.20
Rot. Bonds5

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

1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone (PubChem CID 46215374) has the molecular formula C28H18N4O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone
PubChem CID46215374
Molecular FormulaC28H18N4O2
Molecular Weight442.48 g/mol
Exact Mass442.14
IUPAC Name1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2-c2ccnc3ccccc23)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C28H18N4O2/c33-26(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/h1-17H,(H,31,32)
InChIKeyHWRTUAYLKPDZRX-UHFFFAOYSA-N
XLogP6.20
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.48
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone (CID 46215374) is 1H-benzimidazol-2-yl-[4-[(3-quinolin-4-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?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone is 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?
The InChIKey is HWRTUAYLKPDZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4O2/c33-26(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/h1-17H,(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-4-yl-2-pyridinyl)oxy]phenyl]methanone has a molecular weight of 442.48 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 46215374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).