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

C19H25ClN2O2S — CID 19743676

IUPACethyl 4-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]butanoate
SMILESCCCSc1ncc(CCCC(=O)OCC)n1Cc1ccccc1Cl
InChIInChI=1S/C19H25ClN2O2S/c1-3-12-25-19-21-13-16(9-7-11-18(23)24-4-2)22(19)14-15-8-5-6-10-17(15)20/h5-6,8,10,13H,3-4,7,9,11-12,14H2,1-2H3
InChIKeyAJFMZKQIIJZUBJ-UHFFFAOYSA-N
MW380.94 g/mol
LogP4.97
Rot. Bonds10

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

ethyl 4-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]butanoate (PubChem CID 19743676) has the molecular formula C19H25ClN2O2S and a molecular weight of 380.94 g/mol. Its IUPAC name is ethyl 4-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]butanoate
PubChem CID19743676
Molecular FormulaC19H25ClN2O2S
Molecular Weight380.94 g/mol
Exact Mass380.13
IUPAC Nameethyl 4-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]butanoate
SMILESCCCSc1ncc(CCCC(=O)OCC)n1Cc1ccccc1Cl
InChIInChI=1S/C19H25ClN2O2S/c1-3-12-25-19-21-13-16(9-7-11-18(23)24-4-2)22(19)14-15-8-5-6-10-17(15)20/h5-6,8,10,13H,3-4,7,9,11-12,14H2,1-2H3
InChIKeyAJFMZKQIIJZUBJ-UHFFFAOYSA-N
XLogP4.97
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.94
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]butanoate 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

ethyl 2-amino-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]propanoate
CID 19351527
2-amino-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]propanoic acid
CID 67736944
1-O-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl] 3-O-ethyl 2-ethyl-2-pentylpropanedioate
CID 54011763
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
ethyl 2-(2-chlorophenyl)-2-[4-[[5-(hydroxymethyl)-2-propylsulfanylimidazol-1-yl]methyl]anilino]acetate
CID 10695840
ethyl (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]prop-2-enoate
CID 67849152
1-O-butyl 10-O-[2-(2-chlorophenyl)ethyl] decanedioate
CID 91715987
ethyl 4-(2-hydroxyphenyl)butanoate
CID 22461645
(2-chlorophenyl)methyl-(3-ethoxy-3-oxopropyl)azanium
CID 4164983
ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-ethyl-6-oxopyrimidine-5-carboxylate
CID 7748770
ethyl 4-pyridin-2-ylsulfanylbutanoate
CID 66684876

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]butanoate?
The IUPAC name of ethyl 4-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]butanoate (CID 19743676) is ethyl 4-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]butanoate.
What is the SMILES notation for ethyl 4-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]butanoate?
The canonical SMILES for ethyl 4-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]butanoate is CCCSc1ncc(CCCC(=O)OCC)n1Cc1ccccc1Cl.
What is the InChIKey of ethyl 4-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]butanoate?
The InChIKey is AJFMZKQIIJZUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2S/c1-3-12-25-19-21-13-16(9-7-11-18(23)24-4-2)22(19)14-15-8-5-6-10-17(15)20/h5-6,8,10,13H,3-4,7,9,11-12,14H2,1-2H3.
What are the key properties of ethyl 4-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]butanoate?
ethyl 4-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]butanoate has a molecular weight of 380.94 g/mol, XLogP of 4.97, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]butanoate is sourced from PubChem (CID 19743676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).