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

C17H19N3O — CID 43222075

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(C)NCc2ccc(-n3ccnc3)cc2)o1
InChIInChI=1S/C17H19N3O/c1-13-3-8-17(21-13)14(2)19-11-15-4-6-16(7-5-15)20-10-9-18-12-20/h3-10,12,14,19H,11H2,1-2H3
InChIKeyWQMBISOSEBWQNM-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.62
Rot. Bonds5

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

N-[(4-imidazol-1-ylphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine (PubChem CID 43222075) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
PubChem CID43222075
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(C)NCc2ccc(-n3ccnc3)cc2)o1
InChIInChI=1S/C17H19N3O/c1-13-3-8-17(21-13)14(2)19-11-15-4-6-16(7-5-15)20-10-9-18-12-20/h3-10,12,14,19H,11H2,1-2H3
InChIKeyWQMBISOSEBWQNM-UHFFFAOYSA-N
XLogP3.62
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(5-methylfuran-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 51675926
N-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine
CID 43775713
N-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]-1-(4-imidazol-1-ylphenyl)ethanamine
CID 75428099
1-(5-chlorothiophen-2-yl)-N-[(4-imidazol-1-ylphenyl)methyl]ethanamine
CID 43432658
1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine
CID 43435620
(1R)-1-(4-imidazol-1-ylphenyl)-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]ethanamine
CID 95973395
N-[(4-imidazol-1-ylphenyl)methyl]-3-methylbutan-1-amine
CID 43220439
N-[(4-imidazol-1-ylphenyl)methyl]hexan-2-amine
CID 62200953
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-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913038
1-(4-imidazol-1-ylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 55378386

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine (CID 43222075) is N-[(4-imidazol-1-ylphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine is Cc1ccc(C(C)NCc2ccc(-n3ccnc3)cc2)o1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is WQMBISOSEBWQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-3-8-17(21-13)14(2)19-11-15-4-6-16(7-5-15)20-10-9-18-12-20/h3-10,12,14,19H,11H2,1-2H3.
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
N-[(4-imidazol-1-ylphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 281.36 g/mol, XLogP of 3.62, 5 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]-1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 43222075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).