phenyl-[3-(2-thiophen-3-ylethyl)imidazol-4-yl]methanamine

C16H17N3S — CID 114705145

IUPACphenyl-[3-(2-thiophen-3-ylethyl)imidazol-4-yl]methanamine
SMILESNC(c1ccccc1)c1cncn1CCc1ccsc1
InChIInChI=1S/C16H17N3S/c17-16(14-4-2-1-3-5-14)15-10-18-12-19(15)8-6-13-7-9-20-11-13/h1-5,7,9-12,16H,6,8,17H2
InChIKeyKRBPDRRVWLEQLI-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.24
Rot. Bonds5

About phenyl-[3-(2-thiophen-3-ylethyl)imidazol-4-yl]methanamine

phenyl-[3-(2-thiophen-3-ylethyl)imidazol-4-yl]methanamine (PubChem CID 114705145) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is phenyl-[3-(2-thiophen-3-ylethyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Namephenyl-[3-(2-thiophen-3-ylethyl)imidazol-4-yl]methanamine
PubChem CID114705145
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Namephenyl-[3-(2-thiophen-3-ylethyl)imidazol-4-yl]methanamine
SMILESNC(c1ccccc1)c1cncn1CCc1ccsc1
InChIInChI=1S/C16H17N3S/c17-16(14-4-2-1-3-5-14)15-10-18-12-19(15)8-6-13-7-9-20-11-13/h1-5,7,9-12,16H,6,8,17H2
InChIKeyKRBPDRRVWLEQLI-UHFFFAOYSA-N
XLogP3.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-thiophen-3-ylethyl)imidazole-4-carbaldehyde
CID 66146790
(1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine
CID 104941869
N-[2-[5-[amino(phenyl)methyl]imidazol-1-yl]ethyl]-N-methylpropan-2-amine
CID 114705602
[3-(2-methylsulfinylpropyl)imidazol-4-yl]-phenylmethanamine
CID 114707566
[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine
CID 114704846
ethyl 4-[5-[amino(phenyl)methyl]imidazol-1-yl]butanoate
CID 114706337
[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine
CID 106040980
2-[5-[amino(phenyl)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 114707087
[3-(2-cyclopentyloxyethyl)imidazol-4-yl]-phenylmethanamine
CID 114706152
N-benzhydryl-2-thiophen-3-ylethanamine
CID 61474886
[3-[(2-methyloxolan-2-yl)methyl]imidazol-4-yl]-phenylmethanamine
CID 114706842
1-[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]butan-2-amine
CID 66405473

Frequently Asked Questions

What is the IUPAC name of phenyl-[3-(2-thiophen-3-ylethyl)imidazol-4-yl]methanamine?
The IUPAC name of phenyl-[3-(2-thiophen-3-ylethyl)imidazol-4-yl]methanamine (CID 114705145) is phenyl-[3-(2-thiophen-3-ylethyl)imidazol-4-yl]methanamine.
What is the SMILES notation for phenyl-[3-(2-thiophen-3-ylethyl)imidazol-4-yl]methanamine?
The canonical SMILES for phenyl-[3-(2-thiophen-3-ylethyl)imidazol-4-yl]methanamine is NC(c1ccccc1)c1cncn1CCc1ccsc1.
What is the InChIKey of phenyl-[3-(2-thiophen-3-ylethyl)imidazol-4-yl]methanamine?
The InChIKey is KRBPDRRVWLEQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c17-16(14-4-2-1-3-5-14)15-10-18-12-19(15)8-6-13-7-9-20-11-13/h1-5,7,9-12,16H,6,8,17H2.
What are the key properties of phenyl-[3-(2-thiophen-3-ylethyl)imidazol-4-yl]methanamine?
phenyl-[3-(2-thiophen-3-ylethyl)imidazol-4-yl]methanamine has a molecular weight of 283.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-(2-thiophen-3-ylethyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 114705145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).