2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole

C26H18N4 — CID 12522580

IUPAC2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3ccc(-c4ccc(-c5nc6ccccc6[nH]5)cc4)cc3)nc2c1
InChIInChI=1S/C26H18N4/c1-2-6-22-21(5-1)27-25(28-22)19-13-9-17(10-14-19)18-11-15-20(16-12-18)26-29-23-7-3-4-8-24(23)30-26/h1-16H,(H,27,28)(H,29,30)
InChIKeyPQJBJKXEXHGYPG-UHFFFAOYSA-N
MW386.46 g/mol
LogP6.44
Rot. Bonds3

About 2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole

2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole (PubChem CID 12522580) has the molecular formula C26H18N4 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
PubChem CID12522580
Molecular FormulaC26H18N4
Molecular Weight386.46 g/mol
Exact Mass386.15
IUPAC Name2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3ccc(-c4ccc(-c5nc6ccccc6[nH]5)cc4)cc3)nc2c1
InChIInChI=1S/C26H18N4/c1-2-6-22-21(5-1)27-25(28-22)19-13-9-17(10-14-19)18-11-15-20(16-12-18)26-29-23-7-3-4-8-24(23)30-26/h1-16H,(H,27,28)(H,29,30)
InChIKeyPQJBJKXEXHGYPG-UHFFFAOYSA-N
XLogP6.44
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.46
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121
2-[4-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole
CID 76845877
6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
CID 135280717
4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane
CID 90927480
2-[6-(1H-benzimidazol-2-yl)-4-[4-[3,5-bis(1H-benzimidazol-2-yl)phenyl]phenyl]-2-pyridinyl]-1H-benzimidazole
CID 59359581
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole
CID 168554030
2-[6-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1H-benzimidazole
CID 12045900
2-[4-[10-[4-(1H-benzimidazol-2-yl)phenoxy]decoxy]phenyl]-1H-benzimidazole
CID 56656183

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole (CID 12522580) is 2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole is c1ccc2[nH]c(-c3ccc(-c4ccc(-c5nc6ccccc6[nH]5)cc4)cc3)nc2c1.
What is the InChIKey of 2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole?
The InChIKey is PQJBJKXEXHGYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4/c1-2-6-22-21(5-1)27-25(28-22)19-13-9-17(10-14-19)18-11-15-20(16-12-18)26-29-23-7-3-4-8-24(23)30-26/h1-16H,(H,27,28)(H,29,30).
What are the key properties of 2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole?
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole has a molecular weight of 386.46 g/mol, XLogP of 6.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole is sourced from PubChem (CID 12522580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).