5,6-dichloro-2-ethyl-1H-benzimidazole

C9H8Cl2N2 — CID 972654

IUPAC5,6-dichloro-2-ethyl-1H-benzimidazole
SMILESCCc1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C9H8Cl2N2/c1-2-9-12-7-3-5(10)6(11)4-8(7)13-9/h3-4H,2H2,1H3,(H,12,13)
InChIKeyTUAVLJUMDKFUGC-UHFFFAOYSA-N
MW215.08 g/mol
LogP3.43
Rot. Bonds1

About 5,6-dichloro-2-ethyl-1H-benzimidazole

5,6-dichloro-2-ethyl-1H-benzimidazole (PubChem CID 972654) has the molecular formula C9H8Cl2N2 and a molecular weight of 215.08 g/mol. Its IUPAC name is 5,6-dichloro-2-ethyl-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-ethyl-1H-benzimidazole
PubChem CID972654
Molecular FormulaC9H8Cl2N2
Molecular Weight215.08 g/mol
Exact Mass214.01
IUPAC Name5,6-dichloro-2-ethyl-1H-benzimidazole
SMILESCCc1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C9H8Cl2N2/c1-2-9-12-7-3-5(10)6(11)4-8(7)13-9/h3-4H,2H2,1H3,(H,12,13)
InChIKeyTUAVLJUMDKFUGC-UHFFFAOYSA-N
XLogP3.43
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.08
LogP ≤ 53.43
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-ethyl-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-ethyl-1H-benzimidazole (CID 972654) is 5,6-dichloro-2-ethyl-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-ethyl-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-ethyl-1H-benzimidazole is CCc1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 5,6-dichloro-2-ethyl-1H-benzimidazole?
The InChIKey is TUAVLJUMDKFUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2/c1-2-9-12-7-3-5(10)6(11)4-8(7)13-9/h3-4H,2H2,1H3,(H,12,13).
What are the key properties of 5,6-dichloro-2-ethyl-1H-benzimidazole?
5,6-dichloro-2-ethyl-1H-benzimidazole has a molecular weight of 215.08 g/mol, XLogP of 3.43, 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-ethyl-1H-benzimidazole is sourced from PubChem (CID 972654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).