N-[(3-bromophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

C17H19BrIN3 — CID 166367483

IUPACN-[(3-bromophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCN(Cc1cccc(Br)c1)C1=NCC(c2ccccc2)N1.I
InChIInChI=1S/C17H18BrN3.HI/c1-21(12-13-6-5-9-15(18)10-13)17-19-11-16(20-17)14-7-3-2-4-8-14;/h2-10,16H,11-12H2,1H3,(H,19,20);1H
InChIKeyGVMJTCUFMQIAFJ-UHFFFAOYSA-N
MW472.17 g/mol
LogP4.20
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

N-[(3-bromophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (PubChem CID 166367483) has the molecular formula C17H19BrIN3 and a molecular weight of 472.17 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
PubChem CID166367483
Molecular FormulaC17H19BrIN3
Molecular Weight472.17 g/mol
Exact Mass470.98
IUPAC NameN-[(3-bromophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCN(Cc1cccc(Br)c1)C1=NCC(c2ccccc2)N1.I
InChIInChI=1S/C17H18BrN3.HI/c1-21(12-13-6-5-9-15(18)10-13)17-19-11-16(20-17)14-7-3-2-4-8-14;/h2-10,16H,11-12H2,1H3,(H,19,20);1H
InChIKeyGVMJTCUFMQIAFJ-UHFFFAOYSA-N
XLogP4.20
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.17
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[methyl-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenol;hydroiodide
CID 166367428
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine
CID 166367003
N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 62327410
N-[(3-bromophenyl)methyl]-6-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62293133
5-bromo-2-[(5S)-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]pyrimidine
CID 146610093
N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55151680
N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63711588
5-N-[(3-bromophenyl)methyl]-4-cyclopropyl-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103361490
N-[(3-bromophenyl)methyl]-N,3-dimethylaniline
CID 55193940
N-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline
CID 60965802
4-[(3-bromophenyl)methyl-methylamino]pyrrolidin-3-ol
CID 63702636
N-[(3-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine
CID 113377727

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (CID 166367483) is N-[(3-bromophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is CN(Cc1cccc(Br)c1)C1=NCC(c2ccccc2)N1.I.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The InChIKey is GVMJTCUFMQIAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3.HI/c1-21(12-13-6-5-9-15(18)10-13)17-19-11-16(20-17)14-7-3-2-4-8-14;/h2-10,16H,11-12H2,1H3,(H,19,20);1H.
What are the key properties of N-[(3-bromophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
N-[(3-bromophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide has a molecular weight of 472.17 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is sourced from PubChem (CID 166367483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).