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

C26H19N3O2 — CID 118725366

IUPAC(1-methylbenzimidazol-2-yl)-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]methanone
SMILESCn1c(C(=O)c2ccc(Oc3ncccc3-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C26H19N3O2/c1-29-23-12-6-5-11-22(23)28-25(29)24(30)19-13-15-20(16-14-19)31-26-21(10-7-17-27-26)18-8-3-2-4-9-18/h2-17H,1H3
InChIKeyCDMFRKAAVZIALT-UHFFFAOYSA-N
MW405.46 g/mol
LogP5.66
Rot. Bonds5

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

(1-methylbenzimidazol-2-yl)-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]methanone (PubChem CID 118725366) has the molecular formula C26H19N3O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is (1-methylbenzimidazol-2-yl)-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]methanone.

Molecular Properties

Compound Name(1-methylbenzimidazol-2-yl)-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]methanone
PubChem CID118725366
Molecular FormulaC26H19N3O2
Molecular Weight405.46 g/mol
Exact Mass405.15
IUPAC Name(1-methylbenzimidazol-2-yl)-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]methanone
SMILESCn1c(C(=O)c2ccc(Oc3ncccc3-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C26H19N3O2/c1-29-23-12-6-5-11-22(23)28-25(29)24(30)19-13-15-20(16-14-19)31-26-21(10-7-17-27-26)18-8-3-2-4-9-18/h2-17H,1H3
InChIKeyCDMFRKAAVZIALT-UHFFFAOYSA-N
XLogP5.66
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.46
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-2-yl)-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]methanone?
The IUPAC name of (1-methylbenzimidazol-2-yl)-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]methanone (CID 118725366) is (1-methylbenzimidazol-2-yl)-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]methanone.
What is the SMILES notation for (1-methylbenzimidazol-2-yl)-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]methanone?
The canonical SMILES for (1-methylbenzimidazol-2-yl)-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]methanone is Cn1c(C(=O)c2ccc(Oc3ncccc3-c3ccccc3)cc2)nc2ccccc21.
What is the InChIKey of (1-methylbenzimidazol-2-yl)-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]methanone?
The InChIKey is CDMFRKAAVZIALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O2/c1-29-23-12-6-5-11-22(23)28-25(29)24(30)19-13-15-20(16-14-19)31-26-21(10-7-17-27-26)18-8-3-2-4-9-18/h2-17H,1H3.
What are the key properties of (1-methylbenzimidazol-2-yl)-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]methanone?
(1-methylbenzimidazol-2-yl)-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]methanone has a molecular weight of 405.46 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzimidazol-2-yl)-[4-[(3-phenyl-2-pyridinyl)oxy]phenyl]methanone is sourced from PubChem (CID 118725366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).