3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-4-ol

C36H26N4O — CID 140864433

IUPAC3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-4-ol
SMILESCn1c(-c2cnccc2O)nc2c(-c3cccc(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)c3)cccc21
InChIInChI=1S/C36H26N4O/c1-40-33-12-6-11-30(35(33)39-36(40)31-23-37-19-18-34(31)41)28-9-5-10-29(21-28)32-22-27(17-20-38-32)26-15-13-25(14-16-26)24-7-3-2-4-8-24/h2-23H,1H3,(H,37,41)
InChIKeyUBUWKLZUTDUNTL-UHFFFAOYSA-N
MW530.63 g/mol
LogP8.40
Rot. Bonds5

About 3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-4-ol

3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-4-ol (PubChem CID 140864433) has the molecular formula C36H26N4O and a molecular weight of 530.63 g/mol. Its IUPAC name is 3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-4-ol.

Molecular Properties

Compound Name3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-4-ol
PubChem CID140864433
Molecular FormulaC36H26N4O
Molecular Weight530.63 g/mol
Exact Mass530.21
IUPAC Name3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-4-ol
SMILESCn1c(-c2cnccc2O)nc2c(-c3cccc(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)c3)cccc21
InChIInChI=1S/C36H26N4O/c1-40-33-12-6-11-30(35(33)39-36(40)31-23-37-19-18-34(31)41)28-9-5-10-29(21-28)32-22-27(17-20-38-32)26-15-13-25(14-16-26)24-7-3-2-4-8-24/h2-23H,1H3,(H,37,41)
InChIKeyUBUWKLZUTDUNTL-UHFFFAOYSA-N
XLogP8.40
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.63
LogP ≤ 58.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864141
4-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]pyridin-3-ol
CID 140864357
2-[3-phenyl-7-[3-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864017
2-[3-methyl-7-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol
CID 140864553
2-[4-[3-[4-[2-ethenyl-3-methyl-1-(3-phenylphenyl)indol-7-yl]-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol
CID 177093696
2-[7-[3-[6-[3-[2-(2-hydroxyphenyl)-3-methylimidazo[4,5-c]pyridin-7-yl]phenyl]pyrimidin-4-yl]phenyl]-3-methylimidazo[4,5-c]pyridin-2-yl]phenol
CID 176622987
2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol
CID 140864165
2,4-ditert-butyl-6-[1-methyl-4-[3-(2-phenylpropan-2-yl)-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 164743078
2-[1-methyl-4-(3-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 137305162
2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 153481572
2-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864857
4-[4-[3-tert-butyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol
CID 140865089

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-4-ol?
The IUPAC name of 3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-4-ol (CID 140864433) is 3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-4-ol.
What is the SMILES notation for 3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-4-ol?
The canonical SMILES for 3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-4-ol is Cn1c(-c2cnccc2O)nc2c(-c3cccc(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)c3)cccc21.
What is the InChIKey of 3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-4-ol?
The InChIKey is UBUWKLZUTDUNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4O/c1-40-33-12-6-11-30(35(33)39-36(40)31-23-37-19-18-34(31)41)28-9-5-10-29(21-28)32-22-27(17-20-38-32)26-15-13-25(14-16-26)24-7-3-2-4-8-24/h2-23H,1H3,(H,37,41).
What are the key properties of 3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-4-ol?
3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-4-ol has a molecular weight of 530.63 g/mol, XLogP of 8.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-4-ol is sourced from PubChem (CID 140864433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).