6-chloro-3-ethyl-1H-benzimidazol-2-one

C9H9ClN2O — CID 19437881

IUPAC6-chloro-3-ethyl-1H-benzimidazol-2-one
SMILESCCn1c(=O)[nH]c2cc(Cl)ccc21
InChIInChI=1S/C9H9ClN2O/c1-2-12-8-4-3-6(10)5-7(8)11-9(12)13/h3-5H,2H2,1H3,(H,11,13)
InChIKeySZJVKHQNOWCSIC-UHFFFAOYSA-N
MW196.64 g/mol
LogP2.00
Rot. Bonds1

About 6-chloro-3-ethyl-1H-benzimidazol-2-one

6-chloro-3-ethyl-1H-benzimidazol-2-one (PubChem CID 19437881) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 6-chloro-3-ethyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-chloro-3-ethyl-1H-benzimidazol-2-one
PubChem CID19437881
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name6-chloro-3-ethyl-1H-benzimidazol-2-one
SMILESCCn1c(=O)[nH]c2cc(Cl)ccc21
InChIInChI=1S/C9H9ClN2O/c1-2-12-8-4-3-6(10)5-7(8)11-9(12)13/h3-5H,2H2,1H3,(H,11,13)
InChIKeySZJVKHQNOWCSIC-UHFFFAOYSA-N
XLogP2.00
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethyl-1H-benzimidazol-2-one?
The IUPAC name of 6-chloro-3-ethyl-1H-benzimidazol-2-one (CID 19437881) is 6-chloro-3-ethyl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-chloro-3-ethyl-1H-benzimidazol-2-one?
The canonical SMILES for 6-chloro-3-ethyl-1H-benzimidazol-2-one is CCn1c(=O)[nH]c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-3-ethyl-1H-benzimidazol-2-one?
The InChIKey is SZJVKHQNOWCSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c1-2-12-8-4-3-6(10)5-7(8)11-9(12)13/h3-5H,2H2,1H3,(H,11,13).
What are the key properties of 6-chloro-3-ethyl-1H-benzimidazol-2-one?
6-chloro-3-ethyl-1H-benzimidazol-2-one has a molecular weight of 196.64 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethyl-1H-benzimidazol-2-one is sourced from PubChem (CID 19437881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).