1-(1-methylimidazol-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-amine

C14H19N3S — CID 79761391

IUPAC1-(1-methylimidazol-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-amine
SMILESCc1ccc(SCC(N)Cc2nccn2C)cc1
InChIInChI=1S/C14H19N3S/c1-11-3-5-13(6-4-11)18-10-12(15)9-14-16-7-8-17(14)2/h3-8,12H,9-10,15H2,1-2H3
InChIKeyOQHZHCWTCCHSLF-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.39
Rot. Bonds5

About 1-(1-methylimidazol-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-amine

1-(1-methylimidazol-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-amine (PubChem CID 79761391) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-amine
PubChem CID79761391
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name1-(1-methylimidazol-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-amine
SMILESCc1ccc(SCC(N)Cc2nccn2C)cc1
InChIInChI=1S/C14H19N3S/c1-11-3-5-13(6-4-11)18-10-12(15)9-14-16-7-8-17(14)2/h3-8,12H,9-10,15H2,1-2H3
InChIKeyOQHZHCWTCCHSLF-UHFFFAOYSA-N
XLogP2.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)sulfanyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79760890
1-(4-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049663
N-[1-(1-methylimidazol-2-yl)-2-(4-methylphenyl)sulfanylethyl]propan-1-amine
CID 66066993
2-(1-methylimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755605
1-(2-bromo-5-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011679
1-(4-ethylsulfanylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 106848552
2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)acetamide
CID 106151713
[3-(1-methylimidazol-2-yl)-1-(4-methylphenyl)propyl]hydrazine
CID 105194412
[4-(1-methylimidazol-2-yl)-1-phenylsulfanylbutan-2-yl]hydrazine
CID 105228177
1-(4-fluorophenyl)sulfanyl-4-(1-methylimidazol-2-yl)butan-2-ol
CID 114529771
4-amino-5-(1-methylimidazol-2-yl)pentanoic acid
CID 62962598
1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 115580384

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(1-methylimidazol-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-amine (CID 79761391) is 1-(1-methylimidazol-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-amine is Cc1ccc(SCC(N)Cc2nccn2C)cc1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-amine?
The InChIKey is OQHZHCWTCCHSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-11-3-5-13(6-4-11)18-10-12(15)9-14-16-7-8-17(14)2/h3-8,12H,9-10,15H2,1-2H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-amine?
1-(1-methylimidazol-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-amine has a molecular weight of 261.39 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 79761391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).