methyl 3-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)propanoate

C15H21N3O2 — CID 63106914

IUPACmethyl 3-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)propanoate
SMILESCCc1nc2ccccc2n1CC(C)(NC)C(=O)OC
InChIInChI=1S/C15H21N3O2/c1-5-13-17-11-8-6-7-9-12(11)18(13)10-15(2,16-3)14(19)20-4/h6-9,16H,5,10H2,1-4H3
InChIKeyQQPXIFFKCWSNGF-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.75
Rot. Bonds5

About methyl 3-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)propanoate

methyl 3-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)propanoate (PubChem CID 63106914) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is methyl 3-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)propanoate
PubChem CID63106914
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Namemethyl 3-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)propanoate
SMILESCCc1nc2ccccc2n1CC(C)(NC)C(=O)OC
InChIInChI=1S/C15H21N3O2/c1-5-13-17-11-8-6-7-9-12(11)18(13)10-15(2,16-3)14(19)20-4/h6-9,16H,5,10H2,1-4H3
InChIKeyQQPXIFFKCWSNGF-UHFFFAOYSA-N
XLogP1.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2-ethylbenzimidazol-1-yl)-2,2-dimethylpropanoate
CID 79629566
methyl 2-amino-3-(2-ethylbenzimidazol-1-yl)-2-methylpropanoate
CID 63106730
2-methyl-2-(methylamino)-3-(2-propylbenzimidazol-1-yl)propanoic acid
CID 115970892
methyl 3-[2-(2-amino-2-sulfanylideneethyl)benzimidazol-1-yl]-2,2-dimethylpropanoate
CID 79621176
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
2-(2-ethylbenzimidazol-1-yl)-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94824376
methyl 2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]acetate
CID 79475042
1-(2-ethylbenzimidazol-1-yl)-N,3,3-trimethylbutan-2-amine
CID 63104680
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283
1-(3,3-dimethylbutyl)-2-ethylbenzimidazole
CID 115582370
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)propanoate?
The IUPAC name of methyl 3-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)propanoate (CID 63106914) is methyl 3-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)propanoate.
What is the SMILES notation for methyl 3-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)propanoate?
The canonical SMILES for methyl 3-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)propanoate is CCc1nc2ccccc2n1CC(C)(NC)C(=O)OC.
What is the InChIKey of methyl 3-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)propanoate?
The InChIKey is QQPXIFFKCWSNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-13-17-11-8-6-7-9-12(11)18(13)10-15(2,16-3)14(19)20-4/h6-9,16H,5,10H2,1-4H3.
What are the key properties of methyl 3-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)propanoate?
methyl 3-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)propanoate has a molecular weight of 275.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)propanoate is sourced from PubChem (CID 63106914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).