1H-benzimidazol-2-yl-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone

C25H18N4O2 — CID 59326788

IUPAC1H-benzimidazol-2-yl-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
SMILESCc1ccc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)cn1
InChIInChI=1S/C25H18N4O2/c1-16-8-9-18(15-27-16)20-5-4-14-26-25(20)31-19-12-10-17(11-13-19)23(30)24-28-21-6-2-3-7-22(21)29-24/h2-15H,1H3,(H,28,29)
InChIKeyHLTASHKCDHQZNF-UHFFFAOYSA-N
MW406.45 g/mol
LogP5.35
Rot. Bonds5

About 1H-benzimidazol-2-yl-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone

1H-benzimidazol-2-yl-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone (PubChem CID 59326788) has the molecular formula C25H18N4O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
PubChem CID59326788
Molecular FormulaC25H18N4O2
Molecular Weight406.45 g/mol
Exact Mass406.14
IUPAC Name1H-benzimidazol-2-yl-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
SMILESCc1ccc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)cn1
InChIInChI=1S/C25H18N4O2/c1-16-8-9-18(15-27-16)20-5-4-14-26-25(20)31-19-12-10-17(11-13-19)23(30)24-28-21-6-2-3-7-22(21)29-24/h2-15H,1H3,(H,28,29)
InChIKeyHLTASHKCDHQZNF-UHFFFAOYSA-N
XLogP5.35
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.45
LogP ≤ 55.35
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-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone (CID 59326788) is 1H-benzimidazol-2-yl-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone is Cc1ccc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)cn1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone?
The InChIKey is HLTASHKCDHQZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O2/c1-16-8-9-18(15-27-16)20-5-4-14-26-25(20)31-19-12-10-17(11-13-19)23(30)24-28-21-6-2-3-7-22(21)29-24/h2-15H,1H3,(H,28,29).
What are the key properties of 1H-benzimidazol-2-yl-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone?
1H-benzimidazol-2-yl-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone has a molecular weight of 406.45 g/mol, XLogP of 5.35, 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-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone is sourced from PubChem (CID 59326788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).