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

C25H18N4O3 — CID 59326801

IUPAC1H-benzimidazol-2-yl-[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
SMILESCOc1cnccc1-c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C25H18N4O3/c1-31-22-15-26-14-12-18(22)19-5-4-13-27-25(19)32-17-10-8-16(9-11-17)23(30)24-28-20-6-2-3-7-21(20)29-24/h2-15H,1H3,(H,28,29)
InChIKeyWXUBBIPFLOMBBH-UHFFFAOYSA-N
MW422.44 g/mol
LogP5.05
Rot. Bonds6

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

1H-benzimidazol-2-yl-[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone (PubChem CID 59326801) has the molecular formula C25H18N4O3 and a molecular weight of 422.44 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
PubChem CID59326801
Molecular FormulaC25H18N4O3
Molecular Weight422.44 g/mol
Exact Mass422.14
IUPAC Name1H-benzimidazol-2-yl-[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
SMILESCOc1cnccc1-c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C25H18N4O3/c1-31-22-15-26-14-12-18(22)19-5-4-13-27-25(19)32-17-10-8-16(9-11-17)23(30)24-28-20-6-2-3-7-21(20)29-24/h2-15H,1H3,(H,28,29)
InChIKeyWXUBBIPFLOMBBH-UHFFFAOYSA-N
XLogP5.05
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone (CID 59326801) is 1H-benzimidazol-2-yl-[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone is COc1cnccc1-c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone?
The InChIKey is WXUBBIPFLOMBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O3/c1-31-22-15-26-14-12-18(22)19-5-4-13-27-25(19)32-17-10-8-16(9-11-17)23(30)24-28-20-6-2-3-7-21(20)29-24/h2-15H,1H3,(H,28,29).
What are the key properties of 1H-benzimidazol-2-yl-[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone?
1H-benzimidazol-2-yl-[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone has a molecular weight of 422.44 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone is sourced from PubChem (CID 59326801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).