N-[[1-(2-phenylsulfanylethyl)imidazol-2-yl]methyl]propan-2-amine

C15H21N3S — CID 79228825

IUPACN-[[1-(2-phenylsulfanylethyl)imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nccn1CCSc1ccccc1
InChIInChI=1S/C15H21N3S/c1-13(2)17-12-15-16-8-9-18(15)10-11-19-14-6-4-3-5-7-14/h3-9,13,17H,10-12H2,1-2H3
InChIKeyZUJDZIUHCHSWSH-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.17
Rot. Bonds7

About N-[[1-(2-phenylsulfanylethyl)imidazol-2-yl]methyl]propan-2-amine

N-[[1-(2-phenylsulfanylethyl)imidazol-2-yl]methyl]propan-2-amine (PubChem CID 79228825) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[[1-(2-phenylsulfanylethyl)imidazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-phenylsulfanylethyl)imidazol-2-yl]methyl]propan-2-amine
PubChem CID79228825
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-[[1-(2-phenylsulfanylethyl)imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nccn1CCSc1ccccc1
InChIInChI=1S/C15H21N3S/c1-13(2)17-12-15-16-8-9-18(15)10-11-19-14-6-4-3-5-7-14/h3-9,13,17H,10-12H2,1-2H3
InChIKeyZUJDZIUHCHSWSH-UHFFFAOYSA-N
XLogP3.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221280
N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine
CID 65181164
2-[2-[[2-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenyl]acetic acid
CID 115463174
N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221278
N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-2-amine
CID 62221815
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine
CID 62222871
2-methyl-3-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide
CID 62222354
N-ethyl-1-[1-(2-phenylsulfanylethyl)pyrrol-2-yl]ethanamine
CID 79227337
N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)imidazol-2-yl]methyl]propan-2-amine
CID 79221515
N-[[1-[(2-nitrophenyl)methyl]imidazol-2-yl]methyl]propan-2-amine
CID 62221100
2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 62223227
N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-2-yl]methyl]propan-2-amine
CID 63771957

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenylsulfanylethyl)imidazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-phenylsulfanylethyl)imidazol-2-yl]methyl]propan-2-amine (CID 79228825) is N-[[1-(2-phenylsulfanylethyl)imidazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-phenylsulfanylethyl)imidazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-phenylsulfanylethyl)imidazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nccn1CCSc1ccccc1.
What is the InChIKey of N-[[1-(2-phenylsulfanylethyl)imidazol-2-yl]methyl]propan-2-amine?
The InChIKey is ZUJDZIUHCHSWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-13(2)17-12-15-16-8-9-18(15)10-11-19-14-6-4-3-5-7-14/h3-9,13,17H,10-12H2,1-2H3.
What are the key properties of N-[[1-(2-phenylsulfanylethyl)imidazol-2-yl]methyl]propan-2-amine?
N-[[1-(2-phenylsulfanylethyl)imidazol-2-yl]methyl]propan-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-phenylsulfanylethyl)imidazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 79228825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).