2-methoxyethyl 2-(4-amino-2-ethylbenzimidazol-1-yl)propanoate

C15H21N3O3 — CID 82067218

IUPAC2-methoxyethyl 2-(4-amino-2-ethylbenzimidazol-1-yl)propanoate
SMILESCCc1nc2c(N)cccc2n1C(C)C(=O)OCCOC
InChIInChI=1S/C15H21N3O3/c1-4-13-17-14-11(16)6-5-7-12(14)18(13)10(2)15(19)21-9-8-20-3/h5-7,10H,4,8-9,16H2,1-3H3
InChIKeyGAKXYRNXACHTDB-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.93
Rot. Bonds6

About 2-methoxyethyl 2-(4-amino-2-ethylbenzimidazol-1-yl)propanoate

2-methoxyethyl 2-(4-amino-2-ethylbenzimidazol-1-yl)propanoate (PubChem CID 82067218) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-methoxyethyl 2-(4-amino-2-ethylbenzimidazol-1-yl)propanoate.

Molecular Properties

Compound Name2-methoxyethyl 2-(4-amino-2-ethylbenzimidazol-1-yl)propanoate
PubChem CID82067218
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-methoxyethyl 2-(4-amino-2-ethylbenzimidazol-1-yl)propanoate
SMILESCCc1nc2c(N)cccc2n1C(C)C(=O)OCCOC
InChIInChI=1S/C15H21N3O3/c1-4-13-17-14-11(16)6-5-7-12(14)18(13)10(2)15(19)21-9-8-20-3/h5-7,10H,4,8-9,16H2,1-3H3
InChIKeyGAKXYRNXACHTDB-UHFFFAOYSA-N
XLogP1.93
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

butyl 2-(4-amino-2-propylbenzimidazol-1-yl)propanoate
CID 82067291
2-methylpropyl 2-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propanoate
CID 82068237
butan-2-yl 2-(4-amino-2-propylbenzimidazol-1-yl)propanoate
CID 82067301
propyl 2-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]butanoate
CID 82068229
methyl 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propanoate
CID 82067547
ethyl 2-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]butanoate
CID 82068224
2-(4-amino-2-ethylbenzimidazol-1-yl)acetic acid
CID 82067202
methyl 2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]acetate
CID 82067665
ethyl 2-[2-(chloromethyl)-4-cyanobenzimidazol-1-yl]propanoate
CID 104719511
2-(aminomethyl)-1-propan-2-ylbenzimidazol-4-amine
CID 84777995
ethyl 2-(4-amino-2-methylbenzimidazol-1-yl)butanoate
CID 82067094
propan-2-yl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)butanoate
CID 82067433

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-(4-amino-2-ethylbenzimidazol-1-yl)propanoate?
The IUPAC name of 2-methoxyethyl 2-(4-amino-2-ethylbenzimidazol-1-yl)propanoate (CID 82067218) is 2-methoxyethyl 2-(4-amino-2-ethylbenzimidazol-1-yl)propanoate.
What is the SMILES notation for 2-methoxyethyl 2-(4-amino-2-ethylbenzimidazol-1-yl)propanoate?
The canonical SMILES for 2-methoxyethyl 2-(4-amino-2-ethylbenzimidazol-1-yl)propanoate is CCc1nc2c(N)cccc2n1C(C)C(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl 2-(4-amino-2-ethylbenzimidazol-1-yl)propanoate?
The InChIKey is GAKXYRNXACHTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-13-17-14-11(16)6-5-7-12(14)18(13)10(2)15(19)21-9-8-20-3/h5-7,10H,4,8-9,16H2,1-3H3.
What are the key properties of 2-methoxyethyl 2-(4-amino-2-ethylbenzimidazol-1-yl)propanoate?
2-methoxyethyl 2-(4-amino-2-ethylbenzimidazol-1-yl)propanoate has a molecular weight of 291.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-(4-amino-2-ethylbenzimidazol-1-yl)propanoate is sourced from PubChem (CID 82067218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).