methyl 3-(2-ethylbenzimidazol-1-yl)-2,2-dimethylpropanoate

C15H20N2O2 — CID 79629566

IUPACmethyl 3-(2-ethylbenzimidazol-1-yl)-2,2-dimethylpropanoate
SMILESCCc1nc2ccccc2n1CC(C)(C)C(=O)OC
InChIInChI=1S/C15H20N2O2/c1-5-13-16-11-8-6-7-9-12(11)17(13)10-15(2,3)14(18)19-4/h6-9H,5,10H2,1-4H3
InChIKeyJISXAHGOCMEWRK-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.80
Rot. Bonds4

About methyl 3-(2-ethylbenzimidazol-1-yl)-2,2-dimethylpropanoate

methyl 3-(2-ethylbenzimidazol-1-yl)-2,2-dimethylpropanoate (PubChem CID 79629566) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is methyl 3-(2-ethylbenzimidazol-1-yl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-ethylbenzimidazol-1-yl)-2,2-dimethylpropanoate
PubChem CID79629566
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namemethyl 3-(2-ethylbenzimidazol-1-yl)-2,2-dimethylpropanoate
SMILESCCc1nc2ccccc2n1CC(C)(C)C(=O)OC
InChIInChI=1S/C15H20N2O2/c1-5-13-16-11-8-6-7-9-12(11)17(13)10-15(2,3)14(18)19-4/h6-9H,5,10H2,1-4H3
InChIKeyJISXAHGOCMEWRK-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-(2-ethylbenzimidazol-1-yl)-2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-amino-3-(2-ethylbenzimidazol-1-yl)-2-methylpropanoate
CID 63106730
methyl 3-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)propanoate
CID 63106914
methyl 3-[2-(2-amino-2-sulfanylideneethyl)benzimidazol-1-yl]-2,2-dimethylpropanoate
CID 79621176
methyl 2,2-dimethyl-3-(2-oxoquinoxalin-1-yl)propanoate
CID 79629951
methyl 4-(2-ethylbenzimidazol-1-yl)-2-methylbut-2-enoate
CID 77074489
2-(2-ethylbenzimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 115572979
methyl 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]acetate
CID 79475042
1-(3,3-dimethylbutyl)-2-ethylbenzimidazole
CID 115582370
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020
4-(2-ethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide
CID 65252513
2-(2-ethylbenzimidazol-1-yl)-N-(2-methoxyphenyl)acetamide
CID 5023490

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-ethylbenzimidazol-1-yl)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(2-ethylbenzimidazol-1-yl)-2,2-dimethylpropanoate (CID 79629566) is methyl 3-(2-ethylbenzimidazol-1-yl)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(2-ethylbenzimidazol-1-yl)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(2-ethylbenzimidazol-1-yl)-2,2-dimethylpropanoate is CCc1nc2ccccc2n1CC(C)(C)C(=O)OC.
What is the InChIKey of methyl 3-(2-ethylbenzimidazol-1-yl)-2,2-dimethylpropanoate?
The InChIKey is JISXAHGOCMEWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-13-16-11-8-6-7-9-12(11)17(13)10-15(2,3)14(18)19-4/h6-9H,5,10H2,1-4H3.
What are the key properties of methyl 3-(2-ethylbenzimidazol-1-yl)-2,2-dimethylpropanoate?
methyl 3-(2-ethylbenzimidazol-1-yl)-2,2-dimethylpropanoate has a molecular weight of 260.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-ethylbenzimidazol-1-yl)-2,2-dimethylpropanoate is sourced from PubChem (CID 79629566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).