methyl 3-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)propanoate

C11H12Cl2N2O2 — CID 70567515

IUPACmethyl 3-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)propanoate
SMILESCOC(=O)CCN1CNc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C11H12Cl2N2O2/c1-17-11(16)2-3-15-6-14-9-4-7(12)8(13)5-10(9)15/h4-5,14H,2-3,6H2,1H3
InChIKeyICLOQBAUXQCHIH-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.75
Rot. Bonds3

About methyl 3-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)propanoate

methyl 3-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)propanoate (PubChem CID 70567515) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is methyl 3-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)propanoate
PubChem CID70567515
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Namemethyl 3-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)propanoate
SMILESCOC(=O)CCN1CNc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C11H12Cl2N2O2/c1-17-11(16)2-3-15-6-14-9-4-7(12)8(13)5-10(9)15/h4-5,14H,2-3,6H2,1H3
InChIKeyICLOQBAUXQCHIH-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 methyl 3-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)propanoate?
The IUPAC name of methyl 3-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)propanoate (CID 70567515) is methyl 3-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)propanoate.
What is the SMILES notation for methyl 3-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)propanoate?
The canonical SMILES for methyl 3-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)propanoate is COC(=O)CCN1CNc2cc(Cl)c(Cl)cc21.
What is the InChIKey of methyl 3-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)propanoate?
The InChIKey is ICLOQBAUXQCHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c1-17-11(16)2-3-15-6-14-9-4-7(12)8(13)5-10(9)15/h4-5,14H,2-3,6H2,1H3.
What are the key properties of methyl 3-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)propanoate?
methyl 3-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)propanoate 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 methyl 3-(5,6-dichloro-2,3-dihydrobenzimidazol-1-yl)propanoate is sourced from PubChem (CID 70567515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).