1-methyl-2-[3-[3-(4-phenyl-2-pyridinyl)phenoxy]phenyl]benzimidazole

C31H23N3O — CID 162138399

IUPAC1-methyl-2-[3-[3-(4-phenyl-2-pyridinyl)phenoxy]phenyl]benzimidazole
SMILESCn1c(-c2cccc(Oc3cccc(-c4cc(-c5ccccc5)ccn4)c3)c2)nc2ccccc21
InChIInChI=1S/C31H23N3O/c1-34-30-16-6-5-15-28(30)33-31(34)25-12-8-14-27(20-25)35-26-13-7-11-24(19-26)29-21-23(17-18-32-29)22-9-3-2-4-10-22/h2-21H,1H3
InChIKeyWEBUNZSXYBLAFB-UHFFFAOYSA-N
MW453.55 g/mol
LogP7.76
Rot. Bonds5

About 1-methyl-2-[3-[3-(4-phenyl-2-pyridinyl)phenoxy]phenyl]benzimidazole

1-methyl-2-[3-[3-(4-phenyl-2-pyridinyl)phenoxy]phenyl]benzimidazole (PubChem CID 162138399) has the molecular formula C31H23N3O and a molecular weight of 453.55 g/mol. Its IUPAC name is 1-methyl-2-[3-[3-(4-phenyl-2-pyridinyl)phenoxy]phenyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[3-[3-(4-phenyl-2-pyridinyl)phenoxy]phenyl]benzimidazole
PubChem CID162138399
Molecular FormulaC31H23N3O
Molecular Weight453.55 g/mol
Exact Mass453.18
IUPAC Name1-methyl-2-[3-[3-(4-phenyl-2-pyridinyl)phenoxy]phenyl]benzimidazole
SMILESCn1c(-c2cccc(Oc3cccc(-c4cc(-c5ccccc5)ccn4)c3)c2)nc2ccccc21
InChIInChI=1S/C31H23N3O/c1-34-30-16-6-5-15-28(30)33-31(34)25-12-8-14-27(20-25)35-26-13-7-11-24(19-26)29-21-23(17-18-32-29)22-9-3-2-4-10-22/h2-21H,1H3
InChIKeyWEBUNZSXYBLAFB-UHFFFAOYSA-N
XLogP7.76
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.55
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-phenyl-2-pyridinyl)phenoxy]-12,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 162146138
1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole
CID 15804948
4-phenyl-2-[3-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine
CID 168763339
(4-phenylphenyl) 3-(1-methylbenzimidazol-2-yl)benzoate
CID 20556662
3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole
CID 140954841
[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]methanamine
CID 114324602
1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4-phenylphenyl]phenyl]benzimidazole
CID 175716577
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4,5-diphenylphenyl]phenyl]benzimidazole
CID 175716634
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]benzimidazole
CID 140593656
4-(2,4-diphenylphenyl)-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine
CID 168763379
3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-4-ol
CID 140864433

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[3-[3-(4-phenyl-2-pyridinyl)phenoxy]phenyl]benzimidazole?
The IUPAC name of 1-methyl-2-[3-[3-(4-phenyl-2-pyridinyl)phenoxy]phenyl]benzimidazole (CID 162138399) is 1-methyl-2-[3-[3-(4-phenyl-2-pyridinyl)phenoxy]phenyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[3-[3-(4-phenyl-2-pyridinyl)phenoxy]phenyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[3-[3-(4-phenyl-2-pyridinyl)phenoxy]phenyl]benzimidazole is Cn1c(-c2cccc(Oc3cccc(-c4cc(-c5ccccc5)ccn4)c3)c2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-[3-[3-(4-phenyl-2-pyridinyl)phenoxy]phenyl]benzimidazole?
The InChIKey is WEBUNZSXYBLAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N3O/c1-34-30-16-6-5-15-28(30)33-31(34)25-12-8-14-27(20-25)35-26-13-7-11-24(19-26)29-21-23(17-18-32-29)22-9-3-2-4-10-22/h2-21H,1H3.
What are the key properties of 1-methyl-2-[3-[3-(4-phenyl-2-pyridinyl)phenoxy]phenyl]benzimidazole?
1-methyl-2-[3-[3-(4-phenyl-2-pyridinyl)phenoxy]phenyl]benzimidazole has a molecular weight of 453.55 g/mol, XLogP of 7.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[3-[3-(4-phenyl-2-pyridinyl)phenoxy]phenyl]benzimidazole is sourced from PubChem (CID 162138399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).