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

C26H19N3O3 — CID 59327120

IUPAC1H-benzimidazol-2-yl-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methanone
SMILESCOc1cccc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C26H19N3O3/c1-31-20-7-4-6-18(16-20)21-8-5-15-27-26(21)32-19-13-11-17(12-14-19)24(30)25-28-22-9-2-3-10-23(22)29-25/h2-16H,1H3,(H,28,29)
InChIKeyDTJXXOGYWRSCDC-UHFFFAOYSA-N
MW421.46 g/mol
LogP5.66
Rot. Bonds6

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

1H-benzimidazol-2-yl-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methanone (PubChem CID 59327120) has the molecular formula C26H19N3O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methanone
PubChem CID59327120
Molecular FormulaC26H19N3O3
Molecular Weight421.46 g/mol
Exact Mass421.14
IUPAC Name1H-benzimidazol-2-yl-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methanone
SMILESCOc1cccc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C26H19N3O3/c1-31-20-7-4-6-18(16-20)21-8-5-15-27-26(21)32-19-13-11-17(12-14-19)24(30)25-28-22-9-2-3-10-23(22)29-25/h2-16H,1H3,(H,28,29)
InChIKeyDTJXXOGYWRSCDC-UHFFFAOYSA-N
XLogP5.66
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
1H-benzimidazol-2-yl-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326807
1H-benzimidazol-2-yl-[4-[[3-(cyclopenten-1-yl)-2-pyridinyl]oxy]phenyl]methanone
CID 59327036
1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone;molecular hydrogen
CID 143998309
1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone
CID 59351281
1H-benzimidazol-2-yl-[4-[(3-octan-3-yl-2-pyridinyl)oxy]phenyl]methanone
CID 91146087
[4-[(3-chloro-2-pyridinyl)oxy]phenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone
CID 46216386
[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone
CID 70019507
1H-benzimidazol-2-yl-[4-[[3-[4-[6-[4-(1,3-benzoxazol-2-ylamino)phenoxy]-5-bromo-2-pyridinyl]-2-methoxyphenyl]-2-pyridinyl]oxy]phenyl]methanone
CID 91505841

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methanone (CID 59327120) is 1H-benzimidazol-2-yl-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methanone is COc1cccc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)c1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methanone?
The InChIKey is DTJXXOGYWRSCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O3/c1-31-20-7-4-6-18(16-20)21-8-5-15-27-26(21)32-19-13-11-17(12-14-19)24(30)25-28-22-9-2-3-10-23(22)29-25/h2-16H,1H3,(H,28,29).
What are the key properties of 1H-benzimidazol-2-yl-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methanone?
1H-benzimidazol-2-yl-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methanone has a molecular weight of 421.46 g/mol, XLogP of 5.66, 6 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-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methanone is sourced from PubChem (CID 59327120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).