N-[2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine

C17H25N3S — CID 107783749

IUPACN-[2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CSc1ncc[nH]1)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H25N3S/c1-4-9-18-16(12-21-17-19-10-11-20-17)15-7-5-14(6-8-15)13(2)3/h5-8,10-11,13,16,18H,4,9,12H2,1-3H3,(H,19,20)
InChIKeyCJESGSURVKGDAT-UHFFFAOYSA-N
MW303.48 g/mol
LogP4.37
Rot. Bonds8

About N-[2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine

N-[2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine (PubChem CID 107783749) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
PubChem CID107783749
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC NameN-[2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CSc1ncc[nH]1)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H25N3S/c1-4-9-18-16(12-21-17-19-10-11-20-17)15-7-5-14(6-8-15)13(2)3/h5-8,10-11,13,16,18H,4,9,12H2,1-3H3,(H,19,20)
InChIKeyCJESGSURVKGDAT-UHFFFAOYSA-N
XLogP4.37
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 107783914
1-(1H-imidazol-2-ylsulfanyl)-N-propylpropan-2-amine
CID 107783836
N-[1-(4-propan-2-ylphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethyl]propan-1-amine
CID 64626706
2-(1H-imidazol-2-ylsulfanyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 107783873
3-(1H-imidazol-2-ylsulfanyl)-2-(propylamino)propanoic acid
CID 107781988
methyl 3-(1H-imidazol-2-ylsulfanyl)-2-(propylamino)propanoate
CID 107781960
N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(3-methylphenyl)ethanamine
CID 107784064
N-[1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498005
N-[1-(4-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]propan-1-amine
CID 64619474
3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 63412385
N-[2-(1H-imidazol-2-ylsulfanyl)ethyl]heptan-2-amine
CID 107782431
3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-N-propylpropan-1-amine
CID 43625498

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine (CID 107783749) is N-[2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine is CCCNC(CSc1ncc[nH]1)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
The InChIKey is CJESGSURVKGDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-4-9-18-16(12-21-17-19-10-11-20-17)15-7-5-14(6-8-15)13(2)3/h5-8,10-11,13,16,18H,4,9,12H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
N-[2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine has a molecular weight of 303.48 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 107783749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).