2-[1-phenyl-4-[3-phenyl-5-[5-(1-phenylethyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol

C44H33N3O — CID 164742379

IUPAC2-[1-phenyl-4-[3-phenyl-5-[5-(1-phenylethyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
SMILESCC(c1ccccc1)c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)c2)nc1
InChIInChI=1S/C44H33N3O/c1-30(31-14-5-2-6-15-31)33-24-25-40(45-29-33)36-27-34(32-16-7-3-8-17-32)26-35(28-36)38-21-13-22-41-43(38)46-44(39-20-11-12-23-42(39)48)47(41)37-18-9-4-10-19-37/h2-30,48H,1H3
InChIKeySJVUPYGTXWNXSO-UHFFFAOYSA-N
MW619.77 g/mol
LogP10.95
Rot. Bonds7

About 2-[1-phenyl-4-[3-phenyl-5-[5-(1-phenylethyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol

2-[1-phenyl-4-[3-phenyl-5-[5-(1-phenylethyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol (PubChem CID 164742379) has the molecular formula C44H33N3O and a molecular weight of 619.77 g/mol. Its IUPAC name is 2-[1-phenyl-4-[3-phenyl-5-[5-(1-phenylethyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[1-phenyl-4-[3-phenyl-5-[5-(1-phenylethyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
PubChem CID164742379
Molecular FormulaC44H33N3O
Molecular Weight619.77 g/mol
Exact Mass619.26
IUPAC Name2-[1-phenyl-4-[3-phenyl-5-[5-(1-phenylethyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
SMILESCC(c1ccccc1)c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)c2)nc1
InChIInChI=1S/C44H33N3O/c1-30(31-14-5-2-6-15-31)33-24-25-40(45-29-33)36-27-34(32-16-7-3-8-17-32)26-35(28-36)38-21-13-22-41-43(38)46-44(39-20-11-12-23-42(39)48)47(41)37-18-9-4-10-19-37/h2-30,48H,1H3
InChIKeySJVUPYGTXWNXSO-UHFFFAOYSA-N
XLogP10.95
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.77
LogP ≤ 510.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol
CID 140864229
2-[4-[3-(3,5-ditert-butylphenyl)-5-(5-trimethylsilyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 140833081
2-[1-phenyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864345
3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol
CID 140865175
2-[4-[3-(5,6-dideuterio-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 171424927
2-[1-phenyl-4-[3-[4-[3-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 164742307
5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
CID 171424937
2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 162783397
2-[1-phenyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol
CID 140865435
2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 177094142
2-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864557
2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 164742712

Frequently Asked Questions

What is the IUPAC name of 2-[1-phenyl-4-[3-phenyl-5-[5-(1-phenylethyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol?
The IUPAC name of 2-[1-phenyl-4-[3-phenyl-5-[5-(1-phenylethyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol (CID 164742379) is 2-[1-phenyl-4-[3-phenyl-5-[5-(1-phenylethyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol.
What is the SMILES notation for 2-[1-phenyl-4-[3-phenyl-5-[5-(1-phenylethyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol?
The canonical SMILES for 2-[1-phenyl-4-[3-phenyl-5-[5-(1-phenylethyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol is CC(c1ccccc1)c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)c2)nc1.
What is the InChIKey of 2-[1-phenyl-4-[3-phenyl-5-[5-(1-phenylethyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol?
The InChIKey is SJVUPYGTXWNXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33N3O/c1-30(31-14-5-2-6-15-31)33-24-25-40(45-29-33)36-27-34(32-16-7-3-8-17-32)26-35(28-36)38-21-13-22-41-43(38)46-44(39-20-11-12-23-42(39)48)47(41)37-18-9-4-10-19-37/h2-30,48H,1H3.
What are the key properties of 2-[1-phenyl-4-[3-phenyl-5-[5-(1-phenylethyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol?
2-[1-phenyl-4-[3-phenyl-5-[5-(1-phenylethyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol has a molecular weight of 619.77 g/mol, XLogP of 10.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-phenyl-4-[3-phenyl-5-[5-(1-phenylethyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 164742379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).