1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole

C38H26N4O — CID 141099436

IUPAC1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole
SMILESc1ccc(-n2c(-c3ccc(Oc4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C38H26N4O/c1-3-11-29(12-4-1)41-35-17-9-7-15-33(35)39-37(41)27-19-23-31(24-20-27)43-32-25-21-28(22-26-32)38-40-34-16-8-10-18-36(34)42(38)30-13-5-2-6-14-30/h1-26H
InChIKeyXDFQQEBXXAYKKW-UHFFFAOYSA-N
MW554.65 g/mol
LogP9.49
Rot. Bonds6

About 1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole

1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole (PubChem CID 141099436) has the molecular formula C38H26N4O and a molecular weight of 554.65 g/mol. Its IUPAC name is 1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole
PubChem CID141099436
Molecular FormulaC38H26N4O
Molecular Weight554.65 g/mol
Exact Mass554.21
IUPAC Name1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole
SMILESc1ccc(-n2c(-c3ccc(Oc4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C38H26N4O/c1-3-11-29(12-4-1)41-35-17-9-7-15-33(35)39-37(41)27-19-23-31(24-20-27)43-32-25-21-28(22-26-32)38-40-34-16-8-10-18-36(34)42(38)30-13-5-2-6-14-30/h1-26H
InChIKeyXDFQQEBXXAYKKW-UHFFFAOYSA-N
XLogP9.49
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.65
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
1-(4-bromophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134817006
1-(4-fluorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134816858
1-(4-chlorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 19353947
1,2-diphenylbenzimidazole;ethane;iridium;propane
CID 142394497
1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole
CID 58489449

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole?
The IUPAC name of 1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole (CID 141099436) is 1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole?
The canonical SMILES for 1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole is c1ccc(-n2c(-c3ccc(Oc4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3)nc3ccccc32)cc1.
What is the InChIKey of 1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole?
The InChIKey is XDFQQEBXXAYKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4O/c1-3-11-29(12-4-1)41-35-17-9-7-15-33(35)39-37(41)27-19-23-31(24-20-27)43-32-25-21-28(22-26-32)38-40-34-16-8-10-18-36(34)42(38)30-13-5-2-6-14-30/h1-26H.
What are the key properties of 1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole?
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole has a molecular weight of 554.65 g/mol, XLogP of 9.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole is sourced from PubChem (CID 141099436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).