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

C31H21N5 — CID 139158144

IUPAC2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]benzimidazole
SMILESc1ccc(-c2cc3ccccc3n2-c2ccc(-n3c(-c4ccccn4)nc4ccccc43)cc2)nc1
InChIInChI=1S/C31H21N5/c1-3-13-28-22(9-1)21-30(25-10-5-7-19-32-25)35(28)23-15-17-24(18-16-23)36-29-14-4-2-11-26(29)34-31(36)27-12-6-8-20-33-27/h1-21H
InChIKeyZKXFCWRHKLUWOA-UHFFFAOYSA-N
MW463.54 g/mol
LogP7.09
Rot. Bonds4

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

2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]benzimidazole (PubChem CID 139158144) has the molecular formula C31H21N5 and a molecular weight of 463.54 g/mol. Its IUPAC name is 2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]benzimidazole
PubChem CID139158144
Molecular FormulaC31H21N5
Molecular Weight463.54 g/mol
Exact Mass463.18
IUPAC Name2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]benzimidazole
SMILESc1ccc(-c2cc3ccccc3n2-c2ccc(-n3c(-c4ccccn4)nc4ccccc43)cc2)nc1
InChIInChI=1S/C31H21N5/c1-3-13-28-22(9-1)21-30(25-10-5-7-19-32-25)35(28)23-15-17-24(18-16-23)36-29-14-4-2-11-26(29)34-31(36)27-12-6-8-20-33-27/h1-21H
InChIKeyZKXFCWRHKLUWOA-UHFFFAOYSA-N
XLogP7.09
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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9-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
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1-phenyl-2-[2,3,5,6-tetrafluoro-4-(1-phenylindol-2-yl)phenyl]benzimidazole
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9-[4-(1-quinolin-8-ylbenzimidazol-2-yl)phenyl]carbazole
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5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole
CID 70847947
2-[6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-2-pyridinyl]-1-phenylbenzimidazole
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CID 58858980
CID 58858980
7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-(2-pyridin-2-ylquinolin-7-yl)quinoline
CID 164779348
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
CID 153448985

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]benzimidazole?
The IUPAC name of 2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]benzimidazole (CID 139158144) is 2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]benzimidazole.
What is the SMILES notation for 2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]benzimidazole?
The canonical SMILES for 2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]benzimidazole is c1ccc(-c2cc3ccccc3n2-c2ccc(-n3c(-c4ccccn4)nc4ccccc43)cc2)nc1.
What is the InChIKey of 2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]benzimidazole?
The InChIKey is ZKXFCWRHKLUWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N5/c1-3-13-28-22(9-1)21-30(25-10-5-7-19-32-25)35(28)23-15-17-24(18-16-23)36-29-14-4-2-11-26(29)34-31(36)27-12-6-8-20-33-27/h1-21H.
What are the key properties of 2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]benzimidazole?
2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]benzimidazole has a molecular weight of 463.54 g/mol, XLogP of 7.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]benzimidazole is sourced from PubChem (CID 139158144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).