ethyl 3-[2-(propylamino)benzimidazol-1-yl]propanoate

C15H21N3O2 — CID 82359735

IUPACethyl 3-[2-(propylamino)benzimidazol-1-yl]propanoate
SMILESCCCNc1nc2ccccc2n1CCC(=O)OCC
InChIInChI=1S/C15H21N3O2/c1-3-10-16-15-17-12-7-5-6-8-13(12)18(15)11-9-14(19)20-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,16,17)
InChIKeyHZLMSUGCRSLKHZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.81
Rot. Bonds7

About ethyl 3-[2-(propylamino)benzimidazol-1-yl]propanoate

ethyl 3-[2-(propylamino)benzimidazol-1-yl]propanoate (PubChem CID 82359735) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 3-[2-(propylamino)benzimidazol-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(propylamino)benzimidazol-1-yl]propanoate
PubChem CID82359735
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Nameethyl 3-[2-(propylamino)benzimidazol-1-yl]propanoate
SMILESCCCNc1nc2ccccc2n1CCC(=O)OCC
InChIInChI=1S/C15H21N3O2/c1-3-10-16-15-17-12-7-5-6-8-13(12)18(15)11-9-14(19)20-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,16,17)
InChIKeyHZLMSUGCRSLKHZ-UHFFFAOYSA-N
XLogP2.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[2-(4-tert-butylphenyl)benzimidazol-1-yl]propanoate
CID 84571450
4-[2-(ethylamino)benzimidazol-1-yl]butan-2-one
CID 82359609
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809
ethyl 2-[2-(methylamino)benzimidazol-1-yl]acetate
CID 10376688
ethyl 4-(2-phenylbenzimidazol-1-yl)butanoate
CID 155778333
ethyl 3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]propanoate
CID 46287068
hydrazinyl 3-(2-methylbenzimidazol-1-yl)propanoate
CID 66337324
ethyl 4-(1-propylbenzimidazol-2-yl)butanoate
CID 79754222
N-(2-chloroethyl)-1-propylbenzimidazol-2-amine
CID 3066877
3-[(1-heptylbenzimidazol-2-yl)amino]propan-1-ol;hydrobromide
CID 2852129
ethyl 4-[2-(piperidin-4-ylamino)benzimidazol-1-yl]butanoate;hydroiodide
CID 86756600
ethyl 3-(benzotriazol-2-yl)propanoate
CID 3783568

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(propylamino)benzimidazol-1-yl]propanoate?
The IUPAC name of ethyl 3-[2-(propylamino)benzimidazol-1-yl]propanoate (CID 82359735) is ethyl 3-[2-(propylamino)benzimidazol-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-(propylamino)benzimidazol-1-yl]propanoate?
The canonical SMILES for ethyl 3-[2-(propylamino)benzimidazol-1-yl]propanoate is CCCNc1nc2ccccc2n1CCC(=O)OCC.
What is the InChIKey of ethyl 3-[2-(propylamino)benzimidazol-1-yl]propanoate?
The InChIKey is HZLMSUGCRSLKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-10-16-15-17-12-7-5-6-8-13(12)18(15)11-9-14(19)20-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,16,17).
What are the key properties of ethyl 3-[2-(propylamino)benzimidazol-1-yl]propanoate?
ethyl 3-[2-(propylamino)benzimidazol-1-yl]propanoate has a molecular weight of 275.35 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(propylamino)benzimidazol-1-yl]propanoate is sourced from PubChem (CID 82359735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).