N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride

C17H19BrClN3O — CID 17156371

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
SMILESBrc1ccc(-c2ccc(CNCCCn3ccnc3)o2)cc1.Cl
InChIInChI=1S/C17H18BrN3O.ClH/c18-15-4-2-14(3-5-15)17-7-6-16(22-17)12-19-8-1-10-21-11-9-20-13-21;/h2-7,9,11,13,19H,1,8,10,12H2;1H
InChIKeyLUJXXOKOXFAYMP-UHFFFAOYSA-N
MW396.72 g/mol
LogP4.51
Rot. Bonds7

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride (PubChem CID 17156371) has the molecular formula C17H19BrClN3O and a molecular weight of 396.72 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
PubChem CID17156371
Molecular FormulaC17H19BrClN3O
Molecular Weight396.72 g/mol
Exact Mass395.04
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
SMILESBrc1ccc(-c2ccc(CNCCCn3ccnc3)o2)cc1.Cl
InChIInChI=1S/C17H18BrN3O.ClH/c18-15-4-2-14(3-5-15)17-7-6-16(22-17)12-19-8-1-10-21-11-9-20-13-21;/h2-7,9,11,13,19H,1,8,10,12H2;1H
InChIKeyLUJXXOKOXFAYMP-UHFFFAOYSA-N
XLogP4.51
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.72
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
CID 17156318
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17156415
[5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]methanol
CID 64580128
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine
CID 4723752
N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine
CID 4723764
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-(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-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine
CID 142817924
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine
CID 17207835

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride (CID 17156371) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride is Brc1ccc(-c2ccc(CNCCCn3ccnc3)o2)cc1.Cl.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride?
The InChIKey is LUJXXOKOXFAYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O.ClH/c18-15-4-2-14(3-5-15)17-7-6-16(22-17)12-19-8-1-10-21-11-9-20-13-21;/h2-7,9,11,13,19H,1,8,10,12H2;1H.
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride has a molecular weight of 396.72 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 17156371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).