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

C27H21N3O3 — CID 118725367

IUPAC[4-[[3-(4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone
SMILESCOc1ccc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4n3C)cc2)cc1
InChIInChI=1S/C27H21N3O3/c1-30-24-8-4-3-7-23(24)29-26(30)25(31)19-11-15-21(16-12-19)33-27-22(6-5-17-28-27)18-9-13-20(32-2)14-10-18/h3-17H,1-2H3
InChIKeyALZKXQQRTZTXGY-UHFFFAOYSA-N
MW435.48 g/mol
LogP5.67
Rot. Bonds6

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

[4-[[3-(4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone (PubChem CID 118725367) has the molecular formula C27H21N3O3 and a molecular weight of 435.48 g/mol. Its IUPAC name is [4-[[3-(4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone.

Molecular Properties

Compound Name[4-[[3-(4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone
PubChem CID118725367
Molecular FormulaC27H21N3O3
Molecular Weight435.48 g/mol
Exact Mass435.16
IUPAC Name[4-[[3-(4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone
SMILESCOc1ccc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4n3C)cc2)cc1
InChIInChI=1S/C27H21N3O3/c1-30-24-8-4-3-7-23(24)29-26(30)25(31)19-11-15-21(16-12-19)33-27-22(6-5-17-28-27)18-9-13-20(32-2)14-10-18/h3-17H,1-2H3
InChIKeyALZKXQQRTZTXGY-UHFFFAOYSA-N
XLogP5.67
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-(4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone?
The IUPAC name of [4-[[3-(4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone (CID 118725367) is [4-[[3-(4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone.
What is the SMILES notation for [4-[[3-(4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone?
The canonical SMILES for [4-[[3-(4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone is COc1ccc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4n3C)cc2)cc1.
What is the InChIKey of [4-[[3-(4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone?
The InChIKey is ALZKXQQRTZTXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3/c1-30-24-8-4-3-7-23(24)29-26(30)25(31)19-11-15-21(16-12-19)33-27-22(6-5-17-28-27)18-9-13-20(32-2)14-10-18/h3-17H,1-2H3.
What are the key properties of [4-[[3-(4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone?
[4-[[3-(4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone has a molecular weight of 435.48 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(4-methoxyphenyl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone is sourced from PubChem (CID 118725367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).