5,6-dichloro-2-(2-ethylphenyl)-1H-benzimidazole

C15H12Cl2N2 — CID 82003787

IUPAC5,6-dichloro-2-(2-ethylphenyl)-1H-benzimidazole
SMILESCCc1ccccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C15H12Cl2N2/c1-2-9-5-3-4-6-10(9)15-18-13-7-11(16)12(17)8-14(13)19-15/h3-8H,2H2,1H3,(H,18,19)
InChIKeyZZJWHWZMZSFEPD-UHFFFAOYSA-N
MW291.18 g/mol
LogP5.10
Rot. Bonds2

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

5,6-dichloro-2-(2-ethylphenyl)-1H-benzimidazole (PubChem CID 82003787) has the molecular formula C15H12Cl2N2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 5,6-dichloro-2-(2-ethylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-(2-ethylphenyl)-1H-benzimidazole
PubChem CID82003787
Molecular FormulaC15H12Cl2N2
Molecular Weight291.18 g/mol
Exact Mass290.04
IUPAC Name5,6-dichloro-2-(2-ethylphenyl)-1H-benzimidazole
SMILESCCc1ccccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C15H12Cl2N2/c1-2-9-5-3-4-6-10(9)15-18-13-7-11(16)12(17)8-14(13)19-15/h3-8H,2H2,1H3,(H,18,19)
InChIKeyZZJWHWZMZSFEPD-UHFFFAOYSA-N
XLogP5.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.18
LogP ≤ 55.10
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-(2-ethylphenyl)-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-(2-ethylphenyl)-1H-benzimidazole (CID 82003787) is 5,6-dichloro-2-(2-ethylphenyl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-(2-ethylphenyl)-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-(2-ethylphenyl)-1H-benzimidazole is CCc1ccccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 5,6-dichloro-2-(2-ethylphenyl)-1H-benzimidazole?
The InChIKey is ZZJWHWZMZSFEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2/c1-2-9-5-3-4-6-10(9)15-18-13-7-11(16)12(17)8-14(13)19-15/h3-8H,2H2,1H3,(H,18,19).
What are the key properties of 5,6-dichloro-2-(2-ethylphenyl)-1H-benzimidazole?
5,6-dichloro-2-(2-ethylphenyl)-1H-benzimidazole has a molecular weight of 291.18 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(2-ethylphenyl)-1H-benzimidazole is sourced from PubChem (CID 82003787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).