4-(ethylsulfanylmethyl)-N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]aniline

C21H25N3OS — CID 166235229

IUPAC4-(ethylsulfanylmethyl)-N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]aniline
SMILESCCSCc1ccc(NCc2cccc(OCCn3ccnc3)c2)cc1
InChIInChI=1S/C21H25N3OS/c1-2-26-16-18-6-8-20(9-7-18)23-15-19-4-3-5-21(14-19)25-13-12-24-11-10-22-17-24/h3-11,14,17,23H,2,12-13,15-16H2,1H3
InChIKeySVERORYDDLTWOR-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.83
Rot. Bonds10

About 4-(ethylsulfanylmethyl)-N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]aniline

4-(ethylsulfanylmethyl)-N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]aniline (PubChem CID 166235229) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is 4-(ethylsulfanylmethyl)-N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-(ethylsulfanylmethyl)-N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]aniline
PubChem CID166235229
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name4-(ethylsulfanylmethyl)-N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]aniline
SMILESCCSCc1ccc(NCc2cccc(OCCn3ccnc3)c2)cc1
InChIInChI=1S/C21H25N3OS/c1-2-26-16-18-6-8-20(9-7-18)23-15-19-4-3-5-21(14-19)25-13-12-24-11-10-22-17-24/h3-11,14,17,23H,2,12-13,15-16H2,1H3
InChIKeySVERORYDDLTWOR-UHFFFAOYSA-N
XLogP4.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(ethylsulfanylmethyl)-N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]aniline 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

N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 60882800
N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61494562
3-imidazol-1-yl-N-[(3-pentoxyphenyl)methyl]propan-1-amine
CID 54848865
N-[[3-chloro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3-(ethoxymethyl)aniline
CID 166195707
N-[(3-ethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155517
1-[2-(4-ethylphenoxy)ethyl]imidazole
CID 867238
1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60880613
N-[(3-butoxyphenyl)methyl]-4-ethylaniline
CID 39384038
1-[3-(2-imidazol-1-ylethoxy)phenyl]-N-methylethanamine
CID 60883624
2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60657937
ethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane
CID 164877712
3-imidazol-1-yl-N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine
CID 54848934

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfanylmethyl)-N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]aniline?
The IUPAC name of 4-(ethylsulfanylmethyl)-N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]aniline (CID 166235229) is 4-(ethylsulfanylmethyl)-N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 4-(ethylsulfanylmethyl)-N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]aniline?
The canonical SMILES for 4-(ethylsulfanylmethyl)-N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]aniline is CCSCc1ccc(NCc2cccc(OCCn3ccnc3)c2)cc1.
What is the InChIKey of 4-(ethylsulfanylmethyl)-N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]aniline?
The InChIKey is SVERORYDDLTWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-2-26-16-18-6-8-20(9-7-18)23-15-19-4-3-5-21(14-19)25-13-12-24-11-10-22-17-24/h3-11,14,17,23H,2,12-13,15-16H2,1H3.
What are the key properties of 4-(ethylsulfanylmethyl)-N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]aniline?
4-(ethylsulfanylmethyl)-N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]aniline has a molecular weight of 367.52 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfanylmethyl)-N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 166235229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).