ethyl 2-(5,6-dimethylbenzimidazol-1-yl)butanoate

C15H20N2O2 — CID 64660849

IUPACethyl 2-(5,6-dimethylbenzimidazol-1-yl)butanoate
SMILESCCOC(=O)C(CC)n1cnc2cc(C)c(C)cc21
InChIInChI=1S/C15H20N2O2/c1-5-13(15(18)19-6-2)17-9-16-12-7-10(3)11(4)8-14(12)17/h7-9,13H,5-6H2,1-4H3
InChIKeyFCVYWBHYZGWJQE-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.17
Rot. Bonds4

About ethyl 2-(5,6-dimethylbenzimidazol-1-yl)butanoate

ethyl 2-(5,6-dimethylbenzimidazol-1-yl)butanoate (PubChem CID 64660849) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is ethyl 2-(5,6-dimethylbenzimidazol-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(5,6-dimethylbenzimidazol-1-yl)butanoate
PubChem CID64660849
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Nameethyl 2-(5,6-dimethylbenzimidazol-1-yl)butanoate
SMILESCCOC(=O)C(CC)n1cnc2cc(C)c(C)cc21
InChIInChI=1S/C15H20N2O2/c1-5-13(15(18)19-6-2)17-9-16-12-7-10(3)11(4)8-14(12)17/h7-9,13H,5-6H2,1-4H3
InChIKeyFCVYWBHYZGWJQE-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,6-dimethylbenzimidazol-1-yl)pentan-1-amine
CID 83044057
ethyl 4-(5,6-dimethylbenzimidazol-1-yl)-3-hydroxybutanoate
CID 82775981
2-(5,6-dimethylbenzimidazol-1-yl)-N-propylbutan-1-amine
CID 62447956
3-(5,6-dimethylbenzimidazol-1-yl)-N'-hydroxybutanimidamide
CID 54945692
ethyl (2R)-2-[3-(3,4-dimethylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]butanoate
CID 7476428
ethyl 3-hydroxy-2-purin-9-ylpropanoate
CID 70096273
N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]butan-1-amine
CID 62562987
3-(5,6-dimethylbenzimidazol-1-yl)butanimidamide
CID 54945365
2-(5,6-difluorobenzimidazol-1-yl)hexanoic acid
CID 113373538
N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-1-amine
CID 62446647
2-(5,6-dimethylbenzimidazol-1-yl)-N-ethyl-3-methoxypropan-1-amine
CID 103227498
ethyl 2-(4-methylpyrazol-1-yl)butanoate
CID 25248356

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5,6-dimethylbenzimidazol-1-yl)butanoate?
The IUPAC name of ethyl 2-(5,6-dimethylbenzimidazol-1-yl)butanoate (CID 64660849) is ethyl 2-(5,6-dimethylbenzimidazol-1-yl)butanoate.
What is the SMILES notation for ethyl 2-(5,6-dimethylbenzimidazol-1-yl)butanoate?
The canonical SMILES for ethyl 2-(5,6-dimethylbenzimidazol-1-yl)butanoate is CCOC(=O)C(CC)n1cnc2cc(C)c(C)cc21.
What is the InChIKey of ethyl 2-(5,6-dimethylbenzimidazol-1-yl)butanoate?
The InChIKey is FCVYWBHYZGWJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-13(15(18)19-6-2)17-9-16-12-7-10(3)11(4)8-14(12)17/h7-9,13H,5-6H2,1-4H3.
What are the key properties of ethyl 2-(5,6-dimethylbenzimidazol-1-yl)butanoate?
ethyl 2-(5,6-dimethylbenzimidazol-1-yl)butanoate has a molecular weight of 260.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5,6-dimethylbenzimidazol-1-yl)butanoate is sourced from PubChem (CID 64660849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).