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

C15H17BrIN3S — CID 166367161

IUPACN-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCN(Cc1csc(Br)c1)C1=NCC(c2ccccc2)N1.I
InChIInChI=1S/C15H16BrN3S.HI/c1-19(9-11-7-14(16)20-10-11)15-17-8-13(18-15)12-5-3-2-4-6-12;/h2-7,10,13H,8-9H2,1H3,(H,17,18);1H
InChIKeyRTNAPKNVGQPLTQ-UHFFFAOYSA-N
MW478.20 g/mol
LogP4.26
Rot. Bonds3

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

N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (PubChem CID 166367161) has the molecular formula C15H17BrIN3S and a molecular weight of 478.20 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
PubChem CID166367161
Molecular FormulaC15H17BrIN3S
Molecular Weight478.20 g/mol
Exact Mass476.94
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCN(Cc1csc(Br)c1)C1=NCC(c2ccccc2)N1.I
InChIInChI=1S/C15H16BrN3S.HI/c1-19(9-11-7-14(16)20-10-11)15-17-8-13(18-15)12-5-3-2-4-6-12;/h2-7,10,13H,8-9H2,1H3,(H,17,18);1H
InChIKeyRTNAPKNVGQPLTQ-UHFFFAOYSA-N
XLogP4.26
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.20
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (CID 166367161) is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is CN(Cc1csc(Br)c1)C1=NCC(c2ccccc2)N1.I.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The InChIKey is RTNAPKNVGQPLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3S.HI/c1-19(9-11-7-14(16)20-10-11)15-17-8-13(18-15)12-5-3-2-4-6-12;/h2-7,10,13H,8-9H2,1H3,(H,17,18);1H.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide has a molecular weight of 478.20 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is sourced from PubChem (CID 166367161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).