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

C9H7Cl3N2 — CID 82004888

IUPAC5,6-dichloro-2-(2-chloroethyl)-1H-benzimidazole
SMILESClCCc1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C9H7Cl3N2/c10-2-1-9-13-7-3-5(11)6(12)4-8(7)14-9/h3-4H,1-2H2,(H,13,14)
InChIKeyDHMPETUQKONVPH-UHFFFAOYSA-N
MW249.53 g/mol
LogP3.65
Rot. Bonds2

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

5,6-dichloro-2-(2-chloroethyl)-1H-benzimidazole (PubChem CID 82004888) has the molecular formula C9H7Cl3N2 and a molecular weight of 249.53 g/mol. Its IUPAC name is 5,6-dichloro-2-(2-chloroethyl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-(2-chloroethyl)-1H-benzimidazole
PubChem CID82004888
Molecular FormulaC9H7Cl3N2
Molecular Weight249.53 g/mol
Exact Mass247.97
IUPAC Name5,6-dichloro-2-(2-chloroethyl)-1H-benzimidazole
SMILESClCCc1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C9H7Cl3N2/c10-2-1-9-13-7-3-5(11)6(12)4-8(7)14-9/h3-4H,1-2H2,(H,13,14)
InChIKeyDHMPETUQKONVPH-UHFFFAOYSA-N
XLogP3.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.53
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(2-chloroethyl)-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-(2-chloroethyl)-1H-benzimidazole (CID 82004888) is 5,6-dichloro-2-(2-chloroethyl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-(2-chloroethyl)-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-(2-chloroethyl)-1H-benzimidazole is ClCCc1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 5,6-dichloro-2-(2-chloroethyl)-1H-benzimidazole?
The InChIKey is DHMPETUQKONVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl3N2/c10-2-1-9-13-7-3-5(11)6(12)4-8(7)14-9/h3-4H,1-2H2,(H,13,14).
What are the key properties of 5,6-dichloro-2-(2-chloroethyl)-1H-benzimidazole?
5,6-dichloro-2-(2-chloroethyl)-1H-benzimidazole has a molecular weight of 249.53 g/mol, XLogP of 3.65, 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-chloroethyl)-1H-benzimidazole is sourced from PubChem (CID 82004888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).