ethyl 2-(1,5-dimethylbenzimidazol-2-yl)butanoate

C15H20N2O2 — CID 79474558

IUPACethyl 2-(1,5-dimethylbenzimidazol-2-yl)butanoate
SMILESCCOC(=O)C(CC)c1nc2cc(C)ccc2n1C
InChIInChI=1S/C15H20N2O2/c1-5-11(15(18)19-6-2)14-16-12-9-10(3)7-8-13(12)17(14)4/h7-9,11H,5-6H2,1-4H3
InChIKeyCVYVQVHFXNLUPN-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.94
Rot. Bonds4

About ethyl 2-(1,5-dimethylbenzimidazol-2-yl)butanoate

ethyl 2-(1,5-dimethylbenzimidazol-2-yl)butanoate (PubChem CID 79474558) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is ethyl 2-(1,5-dimethylbenzimidazol-2-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(1,5-dimethylbenzimidazol-2-yl)butanoate
PubChem CID79474558
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Nameethyl 2-(1,5-dimethylbenzimidazol-2-yl)butanoate
SMILESCCOC(=O)C(CC)c1nc2cc(C)ccc2n1C
InChIInChI=1S/C15H20N2O2/c1-5-11(15(18)19-6-2)14-16-12-9-10(3)7-8-13(12)17(14)4/h7-9,11H,5-6H2,1-4H3
InChIKeyCVYVQVHFXNLUPN-UHFFFAOYSA-N
XLogP2.94
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,5-dimethylbenzimidazol-2-yl)butanoate?
The IUPAC name of ethyl 2-(1,5-dimethylbenzimidazol-2-yl)butanoate (CID 79474558) is ethyl 2-(1,5-dimethylbenzimidazol-2-yl)butanoate.
What is the SMILES notation for ethyl 2-(1,5-dimethylbenzimidazol-2-yl)butanoate?
The canonical SMILES for ethyl 2-(1,5-dimethylbenzimidazol-2-yl)butanoate is CCOC(=O)C(CC)c1nc2cc(C)ccc2n1C.
What is the InChIKey of ethyl 2-(1,5-dimethylbenzimidazol-2-yl)butanoate?
The InChIKey is CVYVQVHFXNLUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-11(15(18)19-6-2)14-16-12-9-10(3)7-8-13(12)17(14)4/h7-9,11H,5-6H2,1-4H3.
What are the key properties of ethyl 2-(1,5-dimethylbenzimidazol-2-yl)butanoate?
ethyl 2-(1,5-dimethylbenzimidazol-2-yl)butanoate has a molecular weight of 260.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,5-dimethylbenzimidazol-2-yl)butanoate is sourced from PubChem (CID 79474558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).