6-chloro-2-[2-(2-chloro-6-fluorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole

C20H11Cl2FN4 — CID 53356987

IUPAC6-chloro-2-[2-(2-chloro-6-fluorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole
SMILESFc1cccc(Cl)c1-c1nc2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2[nH]1
InChIInChI=1S/C20H11Cl2FN4/c21-11-5-7-15-17(9-11)26-19(24-15)10-4-6-14-16(8-10)27-20(25-14)18-12(22)2-1-3-13(18)23/h1-9H,(H,24,26)(H,25,27)
InChIKeyASFFERDCYVYCJO-UHFFFAOYSA-N
MW397.24 g/mol
LogP6.22
Rot. Bonds2

About 6-chloro-2-[2-(2-chloro-6-fluorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole

6-chloro-2-[2-(2-chloro-6-fluorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole (PubChem CID 53356987) has the molecular formula C20H11Cl2FN4 and a molecular weight of 397.24 g/mol. Its IUPAC name is 6-chloro-2-[2-(2-chloro-6-fluorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[2-(2-chloro-6-fluorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole
PubChem CID53356987
Molecular FormulaC20H11Cl2FN4
Molecular Weight397.24 g/mol
Exact Mass396.03
IUPAC Name6-chloro-2-[2-(2-chloro-6-fluorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole
SMILESFc1cccc(Cl)c1-c1nc2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2[nH]1
InChIInChI=1S/C20H11Cl2FN4/c21-11-5-7-15-17(9-11)26-19(24-15)10-4-6-14-16(8-10)27-20(25-14)18-12(22)2-1-3-13(18)23/h1-9H,(H,24,26)(H,25,27)
InChIKeyASFFERDCYVYCJO-UHFFFAOYSA-N
XLogP6.22
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.24
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-(2-chloro-6-fluorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[2-(2-chloro-6-fluorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole (CID 53356987) is 6-chloro-2-[2-(2-chloro-6-fluorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[2-(2-chloro-6-fluorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[2-(2-chloro-6-fluorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole is Fc1cccc(Cl)c1-c1nc2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2[nH]1.
What is the InChIKey of 6-chloro-2-[2-(2-chloro-6-fluorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole?
The InChIKey is ASFFERDCYVYCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2FN4/c21-11-5-7-15-17(9-11)26-19(24-15)10-4-6-14-16(8-10)27-20(25-14)18-12(22)2-1-3-13(18)23/h1-9H,(H,24,26)(H,25,27).
What are the key properties of 6-chloro-2-[2-(2-chloro-6-fluorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole?
6-chloro-2-[2-(2-chloro-6-fluorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole has a molecular weight of 397.24 g/mol, XLogP of 6.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-(2-chloro-6-fluorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 53356987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).