N-[(6-bromo-2H-chromen-3-yl)methyl]-3-imidazol-1-ylpropan-1-amine

C16H18BrN3O — CID 119107682

IUPACN-[(6-bromo-2H-chromen-3-yl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESBrc1ccc2c(c1)C=C(CNCCCn1ccnc1)CO2
InChIInChI=1S/C16H18BrN3O/c17-15-2-3-16-14(9-15)8-13(11-21-16)10-18-4-1-6-20-7-5-19-12-20/h2-3,5,7-9,12,18H,1,4,6,10-11H2
InChIKeyTYEFTTNHHWTMGG-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.10
Rot. Bonds6

About N-[(6-bromo-2H-chromen-3-yl)methyl]-3-imidazol-1-ylpropan-1-amine

N-[(6-bromo-2H-chromen-3-yl)methyl]-3-imidazol-1-ylpropan-1-amine (PubChem CID 119107682) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is N-[(6-bromo-2H-chromen-3-yl)methyl]-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(6-bromo-2H-chromen-3-yl)methyl]-3-imidazol-1-ylpropan-1-amine
PubChem CID119107682
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC NameN-[(6-bromo-2H-chromen-3-yl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESBrc1ccc2c(c1)C=C(CNCCCn1ccnc1)CO2
InChIInChI=1S/C16H18BrN3O/c17-15-2-3-16-14(9-15)8-13(11-21-16)10-18-4-1-6-20-7-5-19-12-20/h2-3,5,7-9,12,18H,1,4,6,10-11H2
InChIKeyTYEFTTNHHWTMGG-UHFFFAOYSA-N
XLogP3.10
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(6-bromo-2H-chromen-3-yl)methyl]-3-imidazol-1-ylpropan-1-amine 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

2-[2-[(6-bromo-2H-chromen-3-yl)methylamino]ethoxy]ethanol
CID 119111866
3-imidazol-1-yl-N-(1,2-oxazol-3-ylmethyl)propan-1-amine
CID 81176934
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17156371
N-[(5-bromo-2-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 29224809
N-[(4-bromothiophen-2-yl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61067220
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
N-[(4-bromo-3-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 81003217
N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 17156294
N-[(5-bromo-3-pyridinyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 113454152
N-(1-benzofuran-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 28833124
N-[(2-ethenylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 168665221
5-bromo-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 65307454

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2H-chromen-3-yl)methyl]-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-[(6-bromo-2H-chromen-3-yl)methyl]-3-imidazol-1-ylpropan-1-amine (CID 119107682) is N-[(6-bromo-2H-chromen-3-yl)methyl]-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[(6-bromo-2H-chromen-3-yl)methyl]-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-[(6-bromo-2H-chromen-3-yl)methyl]-3-imidazol-1-ylpropan-1-amine is Brc1ccc2c(c1)C=C(CNCCCn1ccnc1)CO2.
What is the InChIKey of N-[(6-bromo-2H-chromen-3-yl)methyl]-3-imidazol-1-ylpropan-1-amine?
The InChIKey is TYEFTTNHHWTMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c17-15-2-3-16-14(9-15)8-13(11-21-16)10-18-4-1-6-20-7-5-19-12-20/h2-3,5,7-9,12,18H,1,4,6,10-11H2.
What are the key properties of N-[(6-bromo-2H-chromen-3-yl)methyl]-3-imidazol-1-ylpropan-1-amine?
N-[(6-bromo-2H-chromen-3-yl)methyl]-3-imidazol-1-ylpropan-1-amine has a molecular weight of 348.24 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2H-chromen-3-yl)methyl]-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 119107682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).