5,6-dichloro-3-ethyl-1H-benzimidazol-2-one

C9H8Cl2N2O — CID 656765

IUPAC5,6-dichloro-3-ethyl-1H-benzimidazol-2-one
SMILESCCn1c(=O)[nH]c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C9H8Cl2N2O/c1-2-13-8-4-6(11)5(10)3-7(8)12-9(13)14/h3-4H,2H2,1H3,(H,12,14)
InChIKeyLKHRMULASXZCLG-UHFFFAOYSA-N
MW231.08 g/mol
LogP2.66
Rot. Bonds1

About 5,6-dichloro-3-ethyl-1H-benzimidazol-2-one

5,6-dichloro-3-ethyl-1H-benzimidazol-2-one (PubChem CID 656765) has the molecular formula C9H8Cl2N2O and a molecular weight of 231.08 g/mol. Its IUPAC name is 5,6-dichloro-3-ethyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5,6-dichloro-3-ethyl-1H-benzimidazol-2-one
PubChem CID656765
Molecular FormulaC9H8Cl2N2O
Molecular Weight231.08 g/mol
Exact Mass230.00
IUPAC Name5,6-dichloro-3-ethyl-1H-benzimidazol-2-one
SMILESCCn1c(=O)[nH]c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C9H8Cl2N2O/c1-2-13-8-4-6(11)5(10)3-7(8)12-9(13)14/h3-4H,2H2,1H3,(H,12,14)
InChIKeyLKHRMULASXZCLG-UHFFFAOYSA-N
XLogP2.66
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-ethyl-1H-benzimidazol-2-one?
The IUPAC name of 5,6-dichloro-3-ethyl-1H-benzimidazol-2-one (CID 656765) is 5,6-dichloro-3-ethyl-1H-benzimidazol-2-one.
What is the SMILES notation for 5,6-dichloro-3-ethyl-1H-benzimidazol-2-one?
The canonical SMILES for 5,6-dichloro-3-ethyl-1H-benzimidazol-2-one is CCn1c(=O)[nH]c2cc(Cl)c(Cl)cc21.
What is the InChIKey of 5,6-dichloro-3-ethyl-1H-benzimidazol-2-one?
The InChIKey is LKHRMULASXZCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O/c1-2-13-8-4-6(11)5(10)3-7(8)12-9(13)14/h3-4H,2H2,1H3,(H,12,14).
What are the key properties of 5,6-dichloro-3-ethyl-1H-benzimidazol-2-one?
5,6-dichloro-3-ethyl-1H-benzimidazol-2-one has a molecular weight of 231.08 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-ethyl-1H-benzimidazol-2-one is sourced from PubChem (CID 656765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).