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

C25H18N4O2 — CID 118725368

IUPAC(1-methylbenzimidazol-2-yl)-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone
SMILESCn1c(C(=O)c2ccc(Oc3ncccc3-c3cccnc3)cc2)nc2ccccc21
InChIInChI=1S/C25H18N4O2/c1-29-22-9-3-2-8-21(22)28-24(29)23(30)17-10-12-19(13-11-17)31-25-20(7-5-15-27-25)18-6-4-14-26-16-18/h2-16H,1H3
InChIKeyXQWMRWCBZDBAJA-UHFFFAOYSA-N
MW406.45 g/mol
LogP5.05
Rot. Bonds5

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

(1-methylbenzimidazol-2-yl)-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone (PubChem CID 118725368) has the molecular formula C25H18N4O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is (1-methylbenzimidazol-2-yl)-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone.

Molecular Properties

Compound Name(1-methylbenzimidazol-2-yl)-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone
PubChem CID118725368
Molecular FormulaC25H18N4O2
Molecular Weight406.45 g/mol
Exact Mass406.14
IUPAC Name(1-methylbenzimidazol-2-yl)-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone
SMILESCn1c(C(=O)c2ccc(Oc3ncccc3-c3cccnc3)cc2)nc2ccccc21
InChIInChI=1S/C25H18N4O2/c1-29-22-9-3-2-8-21(22)28-24(29)23(30)17-10-12-19(13-11-17)31-25-20(7-5-15-27-25)18-6-4-14-26-16-18/h2-16H,1H3
InChIKeyXQWMRWCBZDBAJA-UHFFFAOYSA-N
XLogP5.05
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.45
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-2-yl)-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone?
The IUPAC name of (1-methylbenzimidazol-2-yl)-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone (CID 118725368) is (1-methylbenzimidazol-2-yl)-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone.
What is the SMILES notation for (1-methylbenzimidazol-2-yl)-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone?
The canonical SMILES for (1-methylbenzimidazol-2-yl)-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone is Cn1c(C(=O)c2ccc(Oc3ncccc3-c3cccnc3)cc2)nc2ccccc21.
What is the InChIKey of (1-methylbenzimidazol-2-yl)-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone?
The InChIKey is XQWMRWCBZDBAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O2/c1-29-22-9-3-2-8-21(22)28-24(29)23(30)17-10-12-19(13-11-17)31-25-20(7-5-15-27-25)18-6-4-14-26-16-18/h2-16H,1H3.
What are the key properties of (1-methylbenzimidazol-2-yl)-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone?
(1-methylbenzimidazol-2-yl)-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone has a molecular weight of 406.45 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzimidazol-2-yl)-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone is sourced from PubChem (CID 118725368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).