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

C13H10Cl2N2S — CID 82004288

IUPAC5,6-dichloro-2-(4,5-dimethylthiophen-2-yl)-1H-benzimidazole
SMILESCc1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)sc1C
InChIInChI=1S/C13H10Cl2N2S/c1-6-3-12(18-7(6)2)13-16-10-4-8(14)9(15)5-11(10)17-13/h3-5H,1-2H3,(H,16,17)
InChIKeyRAWKTYRWVFZCPF-UHFFFAOYSA-N
MW297.21 g/mol
LogP5.22
Rot. Bonds1

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

5,6-dichloro-2-(4,5-dimethylthiophen-2-yl)-1H-benzimidazole (PubChem CID 82004288) has the molecular formula C13H10Cl2N2S and a molecular weight of 297.21 g/mol. Its IUPAC name is 5,6-dichloro-2-(4,5-dimethylthiophen-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-(4,5-dimethylthiophen-2-yl)-1H-benzimidazole
PubChem CID82004288
Molecular FormulaC13H10Cl2N2S
Molecular Weight297.21 g/mol
Exact Mass295.99
IUPAC Name5,6-dichloro-2-(4,5-dimethylthiophen-2-yl)-1H-benzimidazole
SMILESCc1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)sc1C
InChIInChI=1S/C13H10Cl2N2S/c1-6-3-12(18-7(6)2)13-16-10-4-8(14)9(15)5-11(10)17-13/h3-5H,1-2H3,(H,16,17)
InChIKeyRAWKTYRWVFZCPF-UHFFFAOYSA-N
XLogP5.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.21
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(4,5-dimethylthiophen-2-yl)-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-(4,5-dimethylthiophen-2-yl)-1H-benzimidazole (CID 82004288) is 5,6-dichloro-2-(4,5-dimethylthiophen-2-yl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-(4,5-dimethylthiophen-2-yl)-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-(4,5-dimethylthiophen-2-yl)-1H-benzimidazole is Cc1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)sc1C.
What is the InChIKey of 5,6-dichloro-2-(4,5-dimethylthiophen-2-yl)-1H-benzimidazole?
The InChIKey is RAWKTYRWVFZCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2S/c1-6-3-12(18-7(6)2)13-16-10-4-8(14)9(15)5-11(10)17-13/h3-5H,1-2H3,(H,16,17).
What are the key properties of 5,6-dichloro-2-(4,5-dimethylthiophen-2-yl)-1H-benzimidazole?
5,6-dichloro-2-(4,5-dimethylthiophen-2-yl)-1H-benzimidazole has a molecular weight of 297.21 g/mol, XLogP of 5.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(4,5-dimethylthiophen-2-yl)-1H-benzimidazole is sourced from PubChem (CID 82004288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).