5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole

C14H9Cl2FN2 — CID 82004686

IUPAC5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
SMILESCc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1F
InChIInChI=1S/C14H9Cl2FN2/c1-7-2-3-8(4-11(7)17)14-18-12-5-9(15)10(16)6-13(12)19-14/h2-6H,1H3,(H,18,19)
InChIKeyAAEPZCQAOPAYGE-UHFFFAOYSA-N
MW295.14 g/mol
LogP4.98
Rot. Bonds1

About 5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole

5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole (PubChem CID 82004686) has the molecular formula C14H9Cl2FN2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
PubChem CID82004686
Molecular FormulaC14H9Cl2FN2
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
SMILESCc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1F
InChIInChI=1S/C14H9Cl2FN2/c1-7-2-3-8(4-11(7)17)14-18-12-5-9(15)10(16)6-13(12)19-14/h2-6H,1H3,(H,18,19)
InChIKeyAAEPZCQAOPAYGE-UHFFFAOYSA-N
XLogP4.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole (CID 82004686) is 5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole is Cc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1F.
What is the InChIKey of 5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole?
The InChIKey is AAEPZCQAOPAYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2/c1-7-2-3-8(4-11(7)17)14-18-12-5-9(15)10(16)6-13(12)19-14/h2-6H,1H3,(H,18,19).
What are the key properties of 5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole?
5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole has a molecular weight of 295.14 g/mol, XLogP of 4.98, 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-(3-fluoro-4-methylphenyl)-1H-benzimidazole is sourced from PubChem (CID 82004686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).