2-pyridin-2-yl-1-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]benzimidazole

C31H21N7 — CID 25031832

IUPAC2-pyridin-2-yl-1-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]benzimidazole
SMILESc1ccc(-c2cn(-c3cccnc3)c(-c3ccc(-n4c(-c5ccccn5)nc5ccccc54)cc3)n2)nc1
InChIInChI=1S/C31H21N7/c1-2-12-29-26(10-1)35-31(27-11-4-6-19-34-27)38(29)23-15-13-22(14-16-23)30-36-28(25-9-3-5-18-33-25)21-37(30)24-8-7-17-32-20-24/h1-21H
InChIKeyGAURJSZXIPRBEJ-UHFFFAOYSA-N
MW491.56 g/mol
LogP6.40
Rot. Bonds5

About 2-pyridin-2-yl-1-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]benzimidazole

2-pyridin-2-yl-1-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]benzimidazole (PubChem CID 25031832) has the molecular formula C31H21N7 and a molecular weight of 491.56 g/mol. Its IUPAC name is 2-pyridin-2-yl-1-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name2-pyridin-2-yl-1-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]benzimidazole
PubChem CID25031832
Molecular FormulaC31H21N7
Molecular Weight491.56 g/mol
Exact Mass491.19
IUPAC Name2-pyridin-2-yl-1-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]benzimidazole
SMILESc1ccc(-c2cn(-c3cccnc3)c(-c3ccc(-n4c(-c5ccccn5)nc5ccccc54)cc3)n2)nc1
InChIInChI=1S/C31H21N7/c1-2-12-29-26(10-1)35-31(27-11-4-6-19-34-27)38(29)23-15-13-22(14-16-23)30-36-28(25-9-3-5-18-33-25)21-37(30)24-8-7-17-32-20-24/h1-21H
InChIKeyGAURJSZXIPRBEJ-UHFFFAOYSA-N
XLogP6.40
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.56
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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3-[4-[1-(6-methyl-3-pyridinyl)-4-pyridin-2-ylimidazol-2-yl]phenyl]imidazo[4,5-b]pyridine
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2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-1-phenylbenzimidazole
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2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-[3-[3-phenyl-10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;5-[2-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-2-ylpyridine
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7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-(2-pyridin-2-ylquinolin-7-yl)quinoline
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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]benzimidazole?
The IUPAC name of 2-pyridin-2-yl-1-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]benzimidazole (CID 25031832) is 2-pyridin-2-yl-1-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]benzimidazole.
What is the SMILES notation for 2-pyridin-2-yl-1-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]benzimidazole?
The canonical SMILES for 2-pyridin-2-yl-1-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]benzimidazole is c1ccc(-c2cn(-c3cccnc3)c(-c3ccc(-n4c(-c5ccccn5)nc5ccccc54)cc3)n2)nc1.
What is the InChIKey of 2-pyridin-2-yl-1-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]benzimidazole?
The InChIKey is GAURJSZXIPRBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N7/c1-2-12-29-26(10-1)35-31(27-11-4-6-19-34-27)38(29)23-15-13-22(14-16-23)30-36-28(25-9-3-5-18-33-25)21-37(30)24-8-7-17-32-20-24/h1-21H.
What are the key properties of 2-pyridin-2-yl-1-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]benzimidazole?
2-pyridin-2-yl-1-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]benzimidazole has a molecular weight of 491.56 g/mol, XLogP of 6.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]benzimidazole is sourced from PubChem (CID 25031832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).