1-(5-chlorothiophen-2-yl)-N-[(4-imidazol-1-ylphenyl)methyl]ethanamine

C16H16ClN3S — CID 43432658

IUPAC1-(5-chlorothiophen-2-yl)-N-[(4-imidazol-1-ylphenyl)methyl]ethanamine
SMILESCC(NCc1ccc(-n2ccnc2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C16H16ClN3S/c1-12(15-6-7-16(17)21-15)19-10-13-2-4-14(5-3-13)20-9-8-18-11-20/h2-9,11-12,19H,10H2,1H3
InChIKeyFPMPJHLZGYLXCL-UHFFFAOYSA-N
MW317.85 g/mol
LogP4.44
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-N-[(4-imidazol-1-ylphenyl)methyl]ethanamine

1-(5-chlorothiophen-2-yl)-N-[(4-imidazol-1-ylphenyl)methyl]ethanamine (PubChem CID 43432658) has the molecular formula C16H16ClN3S and a molecular weight of 317.85 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[(4-imidazol-1-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[(4-imidazol-1-ylphenyl)methyl]ethanamine
PubChem CID43432658
Molecular FormulaC16H16ClN3S
Molecular Weight317.85 g/mol
Exact Mass317.08
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[(4-imidazol-1-ylphenyl)methyl]ethanamine
SMILESCC(NCc1ccc(-n2ccnc2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C16H16ClN3S/c1-12(15-6-7-16(17)21-15)19-10-13-2-4-14(5-3-13)20-9-8-18-11-20/h2-9,11-12,19H,10H2,1H3
InChIKeyFPMPJHLZGYLXCL-UHFFFAOYSA-N
XLogP4.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.85
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43222075
1-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43427117
1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine
CID 43435620
N-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine
CID 43775713
N-[(4-imidazol-1-ylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 86854994
(1R)-1-(4-imidazol-1-ylphenyl)-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]ethanamine
CID 95973395
N-[(4-imidazol-1-ylphenyl)methyl]hexan-2-amine
CID 62200953
N-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]-1-(4-imidazol-1-ylphenyl)ethanamine
CID 75428099
N-[(4-imidazol-1-ylphenyl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640008
N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769112
1-(5-chlorothiophen-2-yl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 43432653
N-[(5-bromothiophen-3-yl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine
CID 47030408

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(4-imidazol-1-ylphenyl)methyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(4-imidazol-1-ylphenyl)methyl]ethanamine (CID 43432658) is 1-(5-chlorothiophen-2-yl)-N-[(4-imidazol-1-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[(4-imidazol-1-ylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[(4-imidazol-1-ylphenyl)methyl]ethanamine is CC(NCc1ccc(-n2ccnc2)cc1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[(4-imidazol-1-ylphenyl)methyl]ethanamine?
The InChIKey is FPMPJHLZGYLXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3S/c1-12(15-6-7-16(17)21-15)19-10-13-2-4-14(5-3-13)20-9-8-18-11-20/h2-9,11-12,19H,10H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[(4-imidazol-1-ylphenyl)methyl]ethanamine?
1-(5-chlorothiophen-2-yl)-N-[(4-imidazol-1-ylphenyl)methyl]ethanamine has a molecular weight of 317.85 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[(4-imidazol-1-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 43432658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).