2-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)ethyl acetate

C11H12Cl2N2O2 — CID 70565627

IUPAC2-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)ethyl acetate
SMILESCC(=O)OCCN1CNc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C11H12Cl2N2O2/c1-7(16)17-3-2-15-6-14-10-4-8(12)9(13)5-11(10)15/h4-5,14H,2-3,6H2,1H3
InChIKeyAGDNLVJNZAQKEY-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.75
Rot. Bonds3

About 2-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)ethyl acetate

2-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)ethyl acetate (PubChem CID 70565627) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is 2-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)ethyl acetate
PubChem CID70565627
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Name2-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)ethyl acetate
SMILESCC(=O)OCCN1CNc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C11H12Cl2N2O2/c1-7(16)17-3-2-15-6-14-10-4-8(12)9(13)5-11(10)15/h4-5,14H,2-3,6H2,1H3
InChIKeyAGDNLVJNZAQKEY-UHFFFAOYSA-N
XLogP2.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)ethyl acetate?
The IUPAC name of 2-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)ethyl acetate (CID 70565627) is 2-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)ethyl acetate.
What is the SMILES notation for 2-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)ethyl acetate?
The canonical SMILES for 2-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)ethyl acetate is CC(=O)OCCN1CNc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 2-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)ethyl acetate?
The InChIKey is AGDNLVJNZAQKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c1-7(16)17-3-2-15-6-14-10-4-8(12)9(13)5-11(10)15/h4-5,14H,2-3,6H2,1H3.
What are the key properties of 2-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)ethyl acetate?
2-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)ethyl acetate has a molecular weight of 275.13 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)ethyl acetate is sourced from PubChem (CID 70565627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).