[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone

C26H20N4O3 — CID 46214213

IUPAC[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone
SMILESCOc1cnccc1-c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3n2C)cc1
InChIInChI=1S/C26H20N4O3/c1-30-22-8-4-3-7-21(22)29-25(30)24(31)17-9-11-18(12-10-17)33-26-20(6-5-14-28-26)19-13-15-27-16-23(19)32-2/h3-16H,1-2H3
InChIKeyJURWGEJWKDBZET-UHFFFAOYSA-N
MW436.47 g/mol
LogP5.06
Rot. Bonds6

About [4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone

[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone (PubChem CID 46214213) has the molecular formula C26H20N4O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is [4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone.

Molecular Properties

Compound Name[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone
PubChem CID46214213
Molecular FormulaC26H20N4O3
Molecular Weight436.47 g/mol
Exact Mass436.15
IUPAC Name[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone
SMILESCOc1cnccc1-c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3n2C)cc1
InChIInChI=1S/C26H20N4O3/c1-30-22-8-4-3-7-21(22)29-25(30)24(31)17-9-11-18(12-10-17)33-26-20(6-5-14-28-26)19-13-15-27-16-23(19)32-2/h3-16H,1-2H3
InChIKeyJURWGEJWKDBZET-UHFFFAOYSA-N
XLogP5.06
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.47
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone?
The IUPAC name of [4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone (CID 46214213) is [4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone.
What is the SMILES notation for [4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone?
The canonical SMILES for [4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone is COc1cnccc1-c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3n2C)cc1.
What is the InChIKey of [4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone?
The InChIKey is JURWGEJWKDBZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3/c1-30-22-8-4-3-7-21(22)29-25(30)24(31)17-9-11-18(12-10-17)33-26-20(6-5-14-28-26)19-13-15-27-16-23(19)32-2/h3-16H,1-2H3.
What are the key properties of [4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone?
[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone has a molecular weight of 436.47 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone is sourced from PubChem (CID 46214213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).