4,6-dichloro-2-methyl-1H-benzimidazole

C8H6Cl2N2 — CID 1160257

IUPAC4,6-dichloro-2-methyl-1H-benzimidazole
SMILESCc1nc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C8H6Cl2N2/c1-4-11-7-3-5(9)2-6(10)8(7)12-4/h2-3H,1H3,(H,11,12)
InChIKeyPWAQAONRANKJSV-UHFFFAOYSA-N
MW201.06 g/mol
LogP3.18
Rot. Bonds

About 4,6-dichloro-2-methyl-1H-benzimidazole

4,6-dichloro-2-methyl-1H-benzimidazole (PubChem CID 1160257) has the molecular formula C8H6Cl2N2 and a molecular weight of 201.06 g/mol. Its IUPAC name is 4,6-dichloro-2-methyl-1H-benzimidazole.

Molecular Properties

Compound Name4,6-dichloro-2-methyl-1H-benzimidazole
PubChem CID1160257
Molecular FormulaC8H6Cl2N2
Molecular Weight201.06 g/mol
Exact Mass199.99
IUPAC Name4,6-dichloro-2-methyl-1H-benzimidazole
SMILESCc1nc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C8H6Cl2N2/c1-4-11-7-3-5(9)2-6(10)8(7)12-4/h2-3H,1H3,(H,11,12)
InChIKeyPWAQAONRANKJSV-UHFFFAOYSA-N
XLogP3.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-methyl-1H-benzimidazole?
The IUPAC name of 4,6-dichloro-2-methyl-1H-benzimidazole (CID 1160257) is 4,6-dichloro-2-methyl-1H-benzimidazole.
What is the SMILES notation for 4,6-dichloro-2-methyl-1H-benzimidazole?
The canonical SMILES for 4,6-dichloro-2-methyl-1H-benzimidazole is Cc1nc2c(Cl)cc(Cl)cc2[nH]1.
What is the InChIKey of 4,6-dichloro-2-methyl-1H-benzimidazole?
The InChIKey is PWAQAONRANKJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2/c1-4-11-7-3-5(9)2-6(10)8(7)12-4/h2-3H,1H3,(H,11,12).
What are the key properties of 4,6-dichloro-2-methyl-1H-benzimidazole?
4,6-dichloro-2-methyl-1H-benzimidazole has a molecular weight of 201.06 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-methyl-1H-benzimidazole is sourced from PubChem (CID 1160257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).