methyl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate

C13H17N3O2 — CID 82359524

IUPACmethyl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate
SMILESCCNc1nc2ccccc2n1C(C)C(=O)OC
InChIInChI=1S/C13H17N3O2/c1-4-14-13-15-10-7-5-6-8-11(10)16(13)9(2)12(17)18-3/h5-9H,4H2,1-3H3,(H,14,15)
InChIKeyNIMQADZHALSJEQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.20
Rot. Bonds4

About methyl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate

methyl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate (PubChem CID 82359524) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is methyl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate
PubChem CID82359524
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Namemethyl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate
SMILESCCNc1nc2ccccc2n1C(C)C(=O)OC
InChIInChI=1S/C13H17N3O2/c1-4-14-13-15-10-7-5-6-8-11(10)16(13)9(2)12(17)18-3/h5-9H,4H2,1-3H3,(H,14,15)
InChIKeyNIMQADZHALSJEQ-UHFFFAOYSA-N
XLogP2.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

butan-2-yl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate
CID 82359536
2-[2-(ethylamino)benzimidazol-1-yl]-2-phenylacetic acid
CID 82359608
2-N-ethylbenzimidazole-1,2-diamine
CID 45078021
methyl 2-(2-methylbenzimidazol-1-yl)butanoate
CID 4000704
methyl 2-(2-aminobenzimidazol-1-yl)butanoate
CID 82358918
2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid
CID 82359602
propyl 2-(2-aminobenzimidazol-1-yl)propanoate
CID 82358921
2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide
CID 61480171
N-ethyl-1-(methoxymethyl)benzimidazol-2-amine
CID 82359568
4-[2-(ethylamino)benzimidazol-1-yl]butan-2-one
CID 82359609
(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide
CID 94671511
methyl 2-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]butanoate
CID 82359619

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate?
The IUPAC name of methyl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate (CID 82359524) is methyl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate.
What is the SMILES notation for methyl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate?
The canonical SMILES for methyl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate is CCNc1nc2ccccc2n1C(C)C(=O)OC.
What is the InChIKey of methyl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate?
The InChIKey is NIMQADZHALSJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-4-14-13-15-10-7-5-6-8-11(10)16(13)9(2)12(17)18-3/h5-9H,4H2,1-3H3,(H,14,15).
What are the key properties of methyl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate?
methyl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate has a molecular weight of 247.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate is sourced from PubChem (CID 82359524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).