1H-benzimidazol-2-yl-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone

C26H20N4O2 — CID 59326807

IUPAC1H-benzimidazol-2-yl-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
SMILESCc1cnc(Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)c(-c2ccnc(C)c2)c1
InChIInChI=1S/C26H20N4O2/c1-16-13-21(19-11-12-27-17(2)14-19)26(28-15-16)32-20-9-7-18(8-10-20)24(31)25-29-22-5-3-4-6-23(22)30-25/h3-15H,1-2H3,(H,29,30)
InChIKeyKAPZUMLJKFHKTH-UHFFFAOYSA-N
MW420.47 g/mol
LogP5.66
Rot. Bonds5

About 1H-benzimidazol-2-yl-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone

1H-benzimidazol-2-yl-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone (PubChem CID 59326807) has the molecular formula C26H20N4O2 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
PubChem CID59326807
Molecular FormulaC26H20N4O2
Molecular Weight420.47 g/mol
Exact Mass420.16
IUPAC Name1H-benzimidazol-2-yl-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
SMILESCc1cnc(Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)c(-c2ccnc(C)c2)c1
InChIInChI=1S/C26H20N4O2/c1-16-13-21(19-11-12-27-17(2)14-19)26(28-15-16)32-20-9-7-18(8-10-20)24(31)25-29-22-5-3-4-6-23(22)30-25/h3-15H,1-2H3,(H,29,30)
InChIKeyKAPZUMLJKFHKTH-UHFFFAOYSA-N
XLogP5.66
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-benzimidazol-2-yl-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59327120
1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone;molecular hydrogen
CID 143998309
3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]benzonitrile
CID 59326958
1H-benzimidazol-2-yl-[4-[[3-(3-methoxy-2-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326938
1H-benzimidazol-2-yl-[4-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326779
1H-benzimidazol-2-yl-[4-[[3-(2-fluoro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326971
[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone
CID 70019507
1H-benzimidazol-2-yl-[4-[[3-(cyclopenten-1-yl)-2-pyridinyl]oxy]phenyl]methanone
CID 59327036
1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone
CID 59351281
1,3-benzothiazol-2-yl-[4-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyphenyl]methanone
CID 58327662
3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 46207821
4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methyl-2,3-dihydropyridin-6-one
CID 59351234

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone (CID 59326807) is 1H-benzimidazol-2-yl-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone is Cc1cnc(Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)c(-c2ccnc(C)c2)c1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone?
The InChIKey is KAPZUMLJKFHKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2/c1-16-13-21(19-11-12-27-17(2)14-19)26(28-15-16)32-20-9-7-18(8-10-20)24(31)25-29-22-5-3-4-6-23(22)30-25/h3-15H,1-2H3,(H,29,30).
What are the key properties of 1H-benzimidazol-2-yl-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone?
1H-benzimidazol-2-yl-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone has a molecular weight of 420.47 g/mol, XLogP of 5.66, 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-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone is sourced from PubChem (CID 59326807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).