5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole

C13H7Cl2FN2 — CID 4915231

IUPAC5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
SMILESFc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1
InChIInChI=1S/C13H7Cl2FN2/c14-9-5-11-12(6-10(9)15)18-13(17-11)7-1-3-8(16)4-2-7/h1-6H,(H,17,18)
InChIKeyLJXKYBGNNSEFSZ-UHFFFAOYSA-N
MW281.12 g/mol
LogP4.68
Rot. Bonds1

About 5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole

5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole (PubChem CID 4915231) has the molecular formula C13H7Cl2FN2 and a molecular weight of 281.12 g/mol. Its IUPAC name is 5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
PubChem CID4915231
Molecular FormulaC13H7Cl2FN2
Molecular Weight281.12 g/mol
Exact Mass280.00
IUPAC Name5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
SMILESFc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1
InChIInChI=1S/C13H7Cl2FN2/c14-9-5-11-12(6-10(9)15)18-13(17-11)7-1-3-8(16)4-2-7/h1-6H,(H,17,18)
InChIKeyLJXKYBGNNSEFSZ-UHFFFAOYSA-N
XLogP4.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.12
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-dichloro-2-(3,5-difluorophenyl)-1H-benzimidazole
CID 82005304
5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
CID 82004686
5,6-dichloro-2-(2,4-difluorophenyl)-1H-benzimidazole
CID 78912108
N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]acetamide
CID 46861752
5-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine
CID 82001524
2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 113227780
5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline
CID 82003874
2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole
CID 78912113
4-(6-fluoro-1H-benzimidazol-2-yl)aniline
CID 22387237
5,6-dichloro-2-[4-(2-methylimidazol-1-yl)phenyl]-1H-benzimidazole
CID 130237659
6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,3-benzothiazol-2-amine
CID 82005407
2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
CID 60979200

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole (CID 4915231) is 5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole is Fc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1.
What is the InChIKey of 5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole?
The InChIKey is LJXKYBGNNSEFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2/c14-9-5-11-12(6-10(9)15)18-13(17-11)7-1-3-8(16)4-2-7/h1-6H,(H,17,18).
What are the key properties of 5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole?
5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole has a molecular weight of 281.12 g/mol, XLogP of 4.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole is sourced from PubChem (CID 4915231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).