2-[4-[3-(5-deuterio-4-thiophen-2-yl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol

C34H23N3OS — CID 171425112

IUPAC2-[4-[3-(5-deuterio-4-thiophen-2-yl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
SMILES[2H]c1cnc(-c2cccc(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)c2)cc1-c1cccs1
InChIInChI=1S/C34H23N3OS/c38-31-16-5-4-13-28(31)34-36-33-27(14-7-15-30(33)37(34)26-11-2-1-3-12-26)23-9-6-10-24(21-23)29-22-25(18-19-35-29)32-17-8-20-39-32/h1-22,38H/i18D
InChIKeyLZHUEGQZSIUOND-VAAKKRCDSA-N
MW522.65 g/mol
LogP8.86
Rot. Bonds5

About 2-[4-[3-(5-deuterio-4-thiophen-2-yl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol

2-[4-[3-(5-deuterio-4-thiophen-2-yl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol (PubChem CID 171425112) has the molecular formula C34H23N3OS and a molecular weight of 522.65 g/mol. Its IUPAC name is 2-[4-[3-(5-deuterio-4-thiophen-2-yl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[3-(5-deuterio-4-thiophen-2-yl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
PubChem CID171425112
Molecular FormulaC34H23N3OS
Molecular Weight522.65 g/mol
Exact Mass522.16
IUPAC Name2-[4-[3-(5-deuterio-4-thiophen-2-yl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
SMILES[2H]c1cnc(-c2cccc(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)c2)cc1-c1cccs1
InChIInChI=1S/C34H23N3OS/c38-31-16-5-4-13-28(31)34-36-33-27(14-7-15-30(33)37(34)26-11-2-1-3-12-26)23-9-6-10-24(21-23)29-22-25(18-19-35-29)32-17-8-20-39-32/h1-22,38H/i18D
InChIKeyLZHUEGQZSIUOND-VAAKKRCDSA-N
XLogP8.86
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 58.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(5,6-dideuterio-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 171424927
5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
CID 171424937
2-[1-phenyl-4-[3-(3,5,6-trideuterio-4-thiophen-2-yl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 171424869
2-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864857
3-deuterio-2-[1-phenyl-4-[3-(3,5,6-trideuterio-4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 171425044
2-[3-phenyl-7-[3-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864017
2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 177094142
2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 164742712
2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol
CID 140864165
4-(N-phenylanilino)-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
CID 140906004
2-[1-phenyl-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]carbazol-4-yl]benzimidazol-2-yl]phenol
CID 162783149
2-[4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]-1-(3-methyl-4-phenylphenyl)benzimidazol-2-yl]phenol
CID 163418160

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(5-deuterio-4-thiophen-2-yl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol?
The IUPAC name of 2-[4-[3-(5-deuterio-4-thiophen-2-yl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol (CID 171425112) is 2-[4-[3-(5-deuterio-4-thiophen-2-yl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol.
What is the SMILES notation for 2-[4-[3-(5-deuterio-4-thiophen-2-yl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol?
The canonical SMILES for 2-[4-[3-(5-deuterio-4-thiophen-2-yl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol is [2H]c1cnc(-c2cccc(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)c2)cc1-c1cccs1.
What is the InChIKey of 2-[4-[3-(5-deuterio-4-thiophen-2-yl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol?
The InChIKey is LZHUEGQZSIUOND-VAAKKRCDSA-N. The full InChI is InChI=1S/C34H23N3OS/c38-31-16-5-4-13-28(31)34-36-33-27(14-7-15-30(33)37(34)26-11-2-1-3-12-26)23-9-6-10-24(21-23)29-22-25(18-19-35-29)32-17-8-20-39-32/h1-22,38H/i18D.
What are the key properties of 2-[4-[3-(5-deuterio-4-thiophen-2-yl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol?
2-[4-[3-(5-deuterio-4-thiophen-2-yl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol has a molecular weight of 522.65 g/mol, XLogP of 8.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(5-deuterio-4-thiophen-2-yl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol is sourced from PubChem (CID 171425112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).