6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole

C26H17ClN4 — CID 135280717

IUPAC6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
SMILESClc1ccc(-c2nc3ccc(-c4ccc(-c5nc6ccccc6[nH]5)cc4)cc3[nH]2)cc1
InChIInChI=1S/C26H17ClN4/c27-20-12-9-18(10-13-20)26-30-23-14-11-19(15-24(23)31-26)16-5-7-17(8-6-16)25-28-21-3-1-2-4-22(21)29-25/h1-15H,(H,28,29)(H,30,31)
InChIKeyZVSITMUOGFVCTB-UHFFFAOYSA-N
MW420.90 g/mol
LogP7.09
Rot. Bonds3

About 6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole

6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole (PubChem CID 135280717) has the molecular formula C26H17ClN4 and a molecular weight of 420.90 g/mol. Its IUPAC name is 6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
PubChem CID135280717
Molecular FormulaC26H17ClN4
Molecular Weight420.90 g/mol
Exact Mass420.11
IUPAC Name6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
SMILESClc1ccc(-c2nc3ccc(-c4ccc(-c5nc6ccccc6[nH]5)cc4)cc3[nH]2)cc1
InChIInChI=1S/C26H17ClN4/c27-20-12-9-18(10-13-20)26-30-23-14-11-19(15-24(23)31-26)16-5-7-17(8-6-16)25-28-21-3-1-2-4-22(21)29-25/h1-15H,(H,28,29)(H,30,31)
InChIKeyZVSITMUOGFVCTB-UHFFFAOYSA-N
XLogP7.09
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
2-[4-(4-chlorophenyl)sulfinylphenyl]-1H-benzimidazole
CID 68842813
2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole
CID 168554182
2-[4-(6-chloro-5-fluoro-3-pyridinyl)phenyl]-1H-benzimidazole
CID 168555276
4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine
CID 59071986
2-(2-chloro-4-phenylphenyl)-1H-benzimidazole
CID 168554361
2-(1H-benzimidazol-2-yl)-6-(3H-benzimidazol-5-yl)-1H-benzimidazole
CID 11508555
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-[4-(5-chloro-2-methylphenoxy)phenyl]-1H-benzimidazole
CID 68842824

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole?
The IUPAC name of 6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole (CID 135280717) is 6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole.
What is the SMILES notation for 6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole?
The canonical SMILES for 6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole is Clc1ccc(-c2nc3ccc(-c4ccc(-c5nc6ccccc6[nH]5)cc4)cc3[nH]2)cc1.
What is the InChIKey of 6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole?
The InChIKey is ZVSITMUOGFVCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClN4/c27-20-12-9-18(10-13-20)26-30-23-14-11-19(15-24(23)31-26)16-5-7-17(8-6-16)25-28-21-3-1-2-4-22(21)29-25/h1-15H,(H,28,29)(H,30,31).
What are the key properties of 6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole?
6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole has a molecular weight of 420.90 g/mol, XLogP of 7.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole is sourced from PubChem (CID 135280717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).