N-[(4-imidazol-1-ylphenyl)methyl]-2-thiophen-2-ylethanamine

C16H17N3S — CID 43221446

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-2-thiophen-2-ylethanamine
SMILESc1csc(CCNCc2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C16H17N3S/c1-2-16(20-11-1)7-8-17-12-14-3-5-15(6-4-14)19-10-9-18-13-19/h1-6,9-11,13,17H,7-8,12H2
InChIKeyZNLSKLSEFHRMOJ-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.27
Rot. Bonds6

About N-[(4-imidazol-1-ylphenyl)methyl]-2-thiophen-2-ylethanamine

N-[(4-imidazol-1-ylphenyl)methyl]-2-thiophen-2-ylethanamine (PubChem CID 43221446) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-2-thiophen-2-ylethanamine
PubChem CID43221446
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-2-thiophen-2-ylethanamine
SMILESc1csc(CCNCc2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C16H17N3S/c1-2-16(20-11-1)7-8-17-12-14-3-5-15(6-4-14)19-10-9-18-13-19/h1-6,9-11,13,17H,7-8,12H2
InChIKeyZNLSKLSEFHRMOJ-UHFFFAOYSA-N
XLogP3.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
N-[(4-imidazol-1-ylphenyl)methyl]-2-methylsulfinylethanamine
CID 115632439
N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine
CID 43220295
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-thiophen-2-ylethanamine
CID 112722085
3-[(4-imidazol-1-ylphenyl)methylamino]propanoic acid
CID 43466403
N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine
CID 78911236
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344
N-[2-[(4-imidazol-1-ylphenyl)methylamino]ethyl]-2-methylpropanamide;hydrochloride
CID 47008281
N-[(4-imidazol-1-ylphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 78860403
N'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine
CID 103720781
1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol
CID 111468204
4-N-ethyl-6-imidazol-1-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80770959

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-2-thiophen-2-ylethanamine (CID 43221446) is N-[(4-imidazol-1-ylphenyl)methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-2-thiophen-2-ylethanamine is c1csc(CCNCc2ccc(-n3ccnc3)cc2)c1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-2-thiophen-2-ylethanamine?
The InChIKey is ZNLSKLSEFHRMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-2-16(20-11-1)7-8-17-12-14-3-5-15(6-4-14)19-10-9-18-13-19/h1-6,9-11,13,17H,7-8,12H2.
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-2-thiophen-2-ylethanamine?
N-[(4-imidazol-1-ylphenyl)methyl]-2-thiophen-2-ylethanamine has a molecular weight of 283.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 43221446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).