ethyl 2-amino-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]propanoate

C18H24ClN3O2S — CID 19351527

IUPACethyl 2-amino-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]propanoate
SMILESCCCSc1ncc(CC(N)C(=O)OCC)n1Cc1ccccc1Cl
InChIInChI=1S/C18H24ClN3O2S/c1-3-9-25-18-21-11-14(10-16(20)17(23)24-4-2)22(18)12-13-7-5-6-8-15(13)19/h5-8,11,16H,3-4,9-10,12,20H2,1-2H3
InChIKeySNMDTASNXNIUDO-UHFFFAOYSA-N
MW381.93 g/mol
LogP3.52
Rot. Bonds9

About ethyl 2-amino-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]propanoate

ethyl 2-amino-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]propanoate (PubChem CID 19351527) has the molecular formula C18H24ClN3O2S and a molecular weight of 381.93 g/mol. Its IUPAC name is ethyl 2-amino-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]propanoate
PubChem CID19351527
Molecular FormulaC18H24ClN3O2S
Molecular Weight381.93 g/mol
Exact Mass381.13
IUPAC Nameethyl 2-amino-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]propanoate
SMILESCCCSc1ncc(CC(N)C(=O)OCC)n1Cc1ccccc1Cl
InChIInChI=1S/C18H24ClN3O2S/c1-3-9-25-18-21-11-14(10-16(20)17(23)24-4-2)22(18)12-13-7-5-6-8-15(13)19/h5-8,11,16H,3-4,9-10,12,20H2,1-2H3
InChIKeySNMDTASNXNIUDO-UHFFFAOYSA-N
XLogP3.52
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-amino-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]propanoic acid
CID 67736944
ethyl 4-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]butanoate
CID 19743676
2-benzamido-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]propanoic acid
CID 15280951
(2S)-2-[[2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]acetyl]amino]-3-phenylpropanoic acid
CID 54436374
1-O-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl] 3-O-ethyl 2-ethyl-2-pentylpropanedioate
CID 54011763
ethyl 2-(2-chlorophenyl)-2-[4-[[5-(hydroxymethyl)-2-propylsulfanylimidazol-1-yl]methyl]anilino]acetate
CID 10695840
ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-ethyl-6-oxopyrimidine-5-carboxylate
CID 7748770
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate
CID 14009054
ethyl 2-amino-3-(1-benzylpyrazol-4-yl)propanoate
CID 83440945
ethyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 52560491
ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate
CID 11043551
ethyl 2-amino-3-(4-chloro-1-methylpyrazol-3-yl)propanoate
CID 170884718

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]propanoate?
The IUPAC name of ethyl 2-amino-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]propanoate (CID 19351527) is ethyl 2-amino-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]propanoate?
The canonical SMILES for ethyl 2-amino-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]propanoate is CCCSc1ncc(CC(N)C(=O)OCC)n1Cc1ccccc1Cl.
What is the InChIKey of ethyl 2-amino-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]propanoate?
The InChIKey is SNMDTASNXNIUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2S/c1-3-9-25-18-21-11-14(10-16(20)17(23)24-4-2)22(18)12-13-7-5-6-8-15(13)19/h5-8,11,16H,3-4,9-10,12,20H2,1-2H3.
What are the key properties of ethyl 2-amino-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]propanoate?
ethyl 2-amino-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]propanoate has a molecular weight of 381.93 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]propanoate is sourced from PubChem (CID 19351527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).