ethyl 2-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-phenylpropanoate

C19H20N4O2 — CID 118471942

IUPACethyl 2-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)c1ncc(-c2ccc(N)nc2)[nH]1
InChIInChI=1S/C19H20N4O2/c1-2-25-19(24)15(10-13-6-4-3-5-7-13)18-22-12-16(23-18)14-8-9-17(20)21-11-14/h3-9,11-12,15H,2,10H2,1H3,(H2,20,21)(H,22,23)
InChIKeyWADGBEZMBAIBRS-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.94
Rot. Bonds6

About ethyl 2-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-phenylpropanoate

ethyl 2-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-phenylpropanoate (PubChem CID 118471942) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is ethyl 2-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-phenylpropanoate
PubChem CID118471942
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Nameethyl 2-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)c1ncc(-c2ccc(N)nc2)[nH]1
InChIInChI=1S/C19H20N4O2/c1-2-25-19(24)15(10-13-6-4-3-5-7-13)18-22-12-16(23-18)14-8-9-17(20)21-11-14/h3-9,11-12,15H,2,10H2,1H3,(H2,20,21)(H,22,23)
InChIKeyWADGBEZMBAIBRS-UHFFFAOYSA-N
XLogP2.94
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-chlorophenyl)-3-phenylpropanoate
CID 169227908
2-amino-2-[5-(4-ethylphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881459
2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882765
3-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 116881794
ethyl 2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-3-phenylpropanoate
CID 79482471
4-[2-[1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-1H-imidazol-5-yl]benzamide
CID 77106448
1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-phenylethanamine
CID 43650613
(2S)-2-benzyl-3-ethoxy-3-oxopropanoic acid
CID 879209
ethyl 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-3-phenylpropanoate
CID 79482646
3-[(1S)-1-[5-(4-carbamoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-4-cyano-2-ethylbenzamide
CID 140531661
ethyl (2R)-2-benzyl-3-oxopentanoate
CID 102294334
4-[2-[1-[(1-aminoisoquinolin-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]-1H-imidazol-5-yl]benzamide
CID 11518547

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-phenylpropanoate?
The IUPAC name of ethyl 2-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-phenylpropanoate (CID 118471942) is ethyl 2-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-phenylpropanoate?
The canonical SMILES for ethyl 2-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-phenylpropanoate is CCOC(=O)C(Cc1ccccc1)c1ncc(-c2ccc(N)nc2)[nH]1.
What is the InChIKey of ethyl 2-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-phenylpropanoate?
The InChIKey is WADGBEZMBAIBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-25-19(24)15(10-13-6-4-3-5-7-13)18-22-12-16(23-18)14-8-9-17(20)21-11-14/h3-9,11-12,15H,2,10H2,1H3,(H2,20,21)(H,22,23).
What are the key properties of ethyl 2-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-phenylpropanoate?
ethyl 2-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-phenylpropanoate has a molecular weight of 336.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(6-amino-3-pyridinyl)-1H-imidazol-2-yl]-3-phenylpropanoate is sourced from PubChem (CID 118471942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).