3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine

C17H19N3O — CID 17156318

IUPAC3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
SMILESc1ccc(-c2ccc(CNCCCn3ccnc3)o2)cc1
InChIInChI=1S/C17H19N3O/c1-2-5-15(6-3-1)17-8-7-16(21-17)13-18-9-4-11-20-12-10-19-14-20/h1-3,5-8,10,12,14,18H,4,9,11,13H2
InChIKeyLIEFOVKXVMFJLP-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.32
Rot. Bonds7

About 3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine

3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine (PubChem CID 17156318) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
PubChem CID17156318
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
SMILESc1ccc(-c2ccc(CNCCCn3ccnc3)o2)cc1
InChIInChI=1S/C17H19N3O/c1-2-5-15(6-3-1)17-8-7-16(21-17)13-18-9-4-11-20-12-10-19-14-20/h1-3,5-8,10,12,14,18H,4,9,11,13H2
InChIKeyLIEFOVKXVMFJLP-UHFFFAOYSA-N
XLogP3.32
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.32
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-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17156371
[5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]methanol
CID 64580128
3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;oxalic acid
CID 17053071
N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 17156294
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17156415
N-(1-benzofuran-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 28833124
N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine
CID 61067392
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
3-morpholin-4-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine;dihydrochloride
CID 6456966
3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 63850210
N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
CID 4725254
3-imidazol-1-yl-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine
CID 125115068

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine (CID 17156318) is 3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine is c1ccc(-c2ccc(CNCCCn3ccnc3)o2)cc1.
What is the InChIKey of 3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is LIEFOVKXVMFJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-5-15(6-3-1)17-8-7-16(21-17)13-18-9-4-11-20-12-10-19-14-20/h1-3,5-8,10,12,14,18H,4,9,11,13H2.
What are the key properties of 3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine?
3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 17156318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).