methyl 2-amino-3-(2-ethylbenzimidazol-1-yl)-2-methylpropanoate

C14H19N3O2 — CID 63106730

IUPACmethyl 2-amino-3-(2-ethylbenzimidazol-1-yl)-2-methylpropanoate
SMILESCCc1nc2ccccc2n1CC(C)(N)C(=O)OC
InChIInChI=1S/C14H19N3O2/c1-4-12-16-10-7-5-6-8-11(10)17(12)9-14(2,15)13(18)19-3/h5-8H,4,9,15H2,1-3H3
InChIKeyAUFIMEBDFLQWGH-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.49
Rot. Bonds4

About methyl 2-amino-3-(2-ethylbenzimidazol-1-yl)-2-methylpropanoate

methyl 2-amino-3-(2-ethylbenzimidazol-1-yl)-2-methylpropanoate (PubChem CID 63106730) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 2-amino-3-(2-ethylbenzimidazol-1-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(2-ethylbenzimidazol-1-yl)-2-methylpropanoate
PubChem CID63106730
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Namemethyl 2-amino-3-(2-ethylbenzimidazol-1-yl)-2-methylpropanoate
SMILESCCc1nc2ccccc2n1CC(C)(N)C(=O)OC
InChIInChI=1S/C14H19N3O2/c1-4-12-16-10-7-5-6-8-11(10)17(12)9-14(2,15)13(18)19-3/h5-8H,4,9,15H2,1-3H3
InChIKeyAUFIMEBDFLQWGH-UHFFFAOYSA-N
XLogP1.49
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.49
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 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
2-(2-ethylbenzimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 115572979
methyl 4-(2-ethylbenzimidazol-1-yl)-2-methylbut-2-enoate
CID 77074489
2-amino-4-(2-ethylbenzimidazol-1-yl)-2-methylbutan-1-ol
CID 64809415
2-amino-6-(2-ethylbenzimidazol-1-yl)-2-methylhexan-1-ol
CID 64808784
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
2-(2-ethylbenzimidazol-1-yl)-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94824376

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(2-ethylbenzimidazol-1-yl)-2-methylpropanoate?
The IUPAC name of methyl 2-amino-3-(2-ethylbenzimidazol-1-yl)-2-methylpropanoate (CID 63106730) is methyl 2-amino-3-(2-ethylbenzimidazol-1-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-amino-3-(2-ethylbenzimidazol-1-yl)-2-methylpropanoate?
The canonical SMILES for methyl 2-amino-3-(2-ethylbenzimidazol-1-yl)-2-methylpropanoate is CCc1nc2ccccc2n1CC(C)(N)C(=O)OC.
What is the InChIKey of methyl 2-amino-3-(2-ethylbenzimidazol-1-yl)-2-methylpropanoate?
The InChIKey is AUFIMEBDFLQWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-12-16-10-7-5-6-8-11(10)17(12)9-14(2,15)13(18)19-3/h5-8H,4,9,15H2,1-3H3.
What are the key properties of methyl 2-amino-3-(2-ethylbenzimidazol-1-yl)-2-methylpropanoate?
methyl 2-amino-3-(2-ethylbenzimidazol-1-yl)-2-methylpropanoate has a molecular weight of 261.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(2-ethylbenzimidazol-1-yl)-2-methylpropanoate is sourced from PubChem (CID 63106730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).