ethyl 2-(1,7-dimethylbenzimidazol-2-yl)-2-methylpropanoate

C15H20N2O2 — CID 81455583

IUPACethyl 2-(1,7-dimethylbenzimidazol-2-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1nc2cccc(C)c2n1C
InChIInChI=1S/C15H20N2O2/c1-6-19-14(18)15(3,4)13-16-11-9-7-8-10(2)12(11)17(13)5/h7-9H,6H2,1-5H3
InChIKeyROXXKSGEBPILBB-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.72
Rot. Bonds3

About ethyl 2-(1,7-dimethylbenzimidazol-2-yl)-2-methylpropanoate

ethyl 2-(1,7-dimethylbenzimidazol-2-yl)-2-methylpropanoate (PubChem CID 81455583) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is ethyl 2-(1,7-dimethylbenzimidazol-2-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(1,7-dimethylbenzimidazol-2-yl)-2-methylpropanoate
PubChem CID81455583
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Nameethyl 2-(1,7-dimethylbenzimidazol-2-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1nc2cccc(C)c2n1C
InChIInChI=1S/C15H20N2O2/c1-6-19-14(18)15(3,4)13-16-11-9-7-8-10(2)12(11)17(13)5/h7-9H,6H2,1-5H3
InChIKeyROXXKSGEBPILBB-UHFFFAOYSA-N
XLogP2.72
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,7-dimethylbenzimidazol-2-yl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(1,7-dimethylbenzimidazol-2-yl)-2-methylpropanoate (CID 81455583) is ethyl 2-(1,7-dimethylbenzimidazol-2-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(1,7-dimethylbenzimidazol-2-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(1,7-dimethylbenzimidazol-2-yl)-2-methylpropanoate is CCOC(=O)C(C)(C)c1nc2cccc(C)c2n1C.
What is the InChIKey of ethyl 2-(1,7-dimethylbenzimidazol-2-yl)-2-methylpropanoate?
The InChIKey is ROXXKSGEBPILBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-6-19-14(18)15(3,4)13-16-11-9-7-8-10(2)12(11)17(13)5/h7-9H,6H2,1-5H3.
What are the key properties of ethyl 2-(1,7-dimethylbenzimidazol-2-yl)-2-methylpropanoate?
ethyl 2-(1,7-dimethylbenzimidazol-2-yl)-2-methylpropanoate has a molecular weight of 260.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,7-dimethylbenzimidazol-2-yl)-2-methylpropanoate is sourced from PubChem (CID 81455583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).