N-[[2-[(4-methylphenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]propan-2-amine

C15H21N3S — CID 66065230

IUPACN-[[2-[(4-methylphenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCc1ccc(SCc2ncc(CNC(C)C)[nH]2)cc1
InChIInChI=1S/C15H21N3S/c1-11(2)16-8-13-9-17-15(18-13)10-19-14-6-4-12(3)5-7-14/h4-7,9,11,16H,8,10H2,1-3H3,(H,17,18)
InChIKeyXERXYGPTGQNJCF-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.51
Rot. Bonds6

About N-[[2-[(4-methylphenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]propan-2-amine

N-[[2-[(4-methylphenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]propan-2-amine (PubChem CID 66065230) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[[2-[(4-methylphenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(4-methylphenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]propan-2-amine
PubChem CID66065230
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-[[2-[(4-methylphenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCc1ccc(SCc2ncc(CNC(C)C)[nH]2)cc1
InChIInChI=1S/C15H21N3S/c1-11(2)16-8-13-9-17-15(18-13)10-19-14-6-4-12(3)5-7-14/h4-7,9,11,16H,8,10H2,1-3H3,(H,17,18)
InChIKeyXERXYGPTGQNJCF-UHFFFAOYSA-N
XLogP3.51
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[2-[(4-methylphenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]propan-2-amine 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-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole
CID 46222048
4-(1H-imidazol-4-yl)benzene-1-thiol
CID 24971328
4-[2-(3-Trifluoromethyl-phenylsulfanyl)-ethyl]-1H-imidazole
CID 11149952
N-(2-Benzhydrylsulfanyl-ethyl)-N''-[2-(1H-imidazol-4-yl)-ethyl]-guanidine
CID 13998486
4-[4-(methylsulfanyl)phenyl]-1H-imidazole
CID 20373984
4-[2-(methylsulfanyl)phenyl]-1H-imidazole
CID 24971330
4-[3-(methylsulfanyl)phenyl]-1H-imidazole
CID 24971331
4-[3-(3-Trifluoromethyl-phenylsulfanyl)-propyl]-1H-imidazole
CID 11185277
N-(1H-imidazol-5-ylmethyl)-N-(3-methylbutyl)-4-pentylbenzenesulfonamide
CID 44309406
4-(2-(4-Trifluoromethylphenylamino)ethyl)-1H-imidazole
CID 46888006
4-[1-(1H-imidazol-5-yl)-2-[4-(trifluoromethyl)phenyl]sulfanylethyl]piperidine
CID 46929447
4-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)ethyl)piperidine
CID 46929548

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methylphenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(4-methylphenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]propan-2-amine (CID 66065230) is N-[[2-[(4-methylphenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(4-methylphenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(4-methylphenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]propan-2-amine is Cc1ccc(SCc2ncc(CNC(C)C)[nH]2)cc1.
What is the InChIKey of N-[[2-[(4-methylphenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]propan-2-amine?
The InChIKey is XERXYGPTGQNJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-11(2)16-8-13-9-17-15(18-13)10-19-14-6-4-12(3)5-7-14/h4-7,9,11,16H,8,10H2,1-3H3,(H,17,18).
What are the key properties of N-[[2-[(4-methylphenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]propan-2-amine?
N-[[2-[(4-methylphenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]propan-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methylphenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 66065230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).