2-methyl-N-[[3-(4-methylsulfanylphenyl)imidazol-4-yl]methyl]propan-2-amine

C15H21N3S — CID 107446913

IUPAC2-methyl-N-[[3-(4-methylsulfanylphenyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCSc1ccc(-n2cncc2CNC(C)(C)C)cc1
InChIInChI=1S/C15H21N3S/c1-15(2,3)17-10-13-9-16-11-18(13)12-5-7-14(19-4)8-6-12/h5-9,11,17H,10H2,1-4H3
InChIKeyQFHLBHGCXHIXRN-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.48
Rot. Bonds4

About 2-methyl-N-[[3-(4-methylsulfanylphenyl)imidazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[3-(4-methylsulfanylphenyl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 107446913) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-methyl-N-[[3-(4-methylsulfanylphenyl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(4-methylsulfanylphenyl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID107446913
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name2-methyl-N-[[3-(4-methylsulfanylphenyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCSc1ccc(-n2cncc2CNC(C)(C)C)cc1
InChIInChI=1S/C15H21N3S/c1-15(2,3)17-10-13-9-16-11-18(13)12-5-7-14(19-4)8-6-12/h5-9,11,17H,10H2,1-4H3
InChIKeyQFHLBHGCXHIXRN-UHFFFAOYSA-N
XLogP3.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(4-methylsulfanylphenyl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-(4-methylsulfanylphenyl)imidazol-4-yl]methyl]propan-2-amine (CID 107446913) is 2-methyl-N-[[3-(4-methylsulfanylphenyl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-(4-methylsulfanylphenyl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-(4-methylsulfanylphenyl)imidazol-4-yl]methyl]propan-2-amine is CSc1ccc(-n2cncc2CNC(C)(C)C)cc1.
What is the InChIKey of 2-methyl-N-[[3-(4-methylsulfanylphenyl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is QFHLBHGCXHIXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-15(2,3)17-10-13-9-16-11-18(13)12-5-7-14(19-4)8-6-12/h5-9,11,17H,10H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-(4-methylsulfanylphenyl)imidazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[3-(4-methylsulfanylphenyl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(4-methylsulfanylphenyl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 107446913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).