N-[(E)-3-(4-bromophenyl)prop-2-enyl]-1-methyl-4,5-dihydroimidazol-2-amine

C13H16BrN3 — CID 122097374

IUPACN-[(E)-3-(4-bromophenyl)prop-2-enyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NC/C=C/c1ccc(Br)cc1
InChIInChI=1S/C13H16BrN3/c1-17-10-9-16-13(17)15-8-2-3-11-4-6-12(14)7-5-11/h2-7H,8-10H2,1H3,(H,15,16)/b3-2+
InChIKeyLHOBJCNUWIYCAE-NSCUHMNNSA-N
MW294.20 g/mol
LogP2.35
Rot. Bonds3

About N-[(E)-3-(4-bromophenyl)prop-2-enyl]-1-methyl-4,5-dihydroimidazol-2-amine

N-[(E)-3-(4-bromophenyl)prop-2-enyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 122097374) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is N-[(E)-3-(4-bromophenyl)prop-2-enyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[(E)-3-(4-bromophenyl)prop-2-enyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID122097374
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC NameN-[(E)-3-(4-bromophenyl)prop-2-enyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NC/C=C/c1ccc(Br)cc1
InChIInChI=1S/C13H16BrN3/c1-17-10-9-16-13(17)15-8-2-3-11-4-6-12(14)7-5-11/h2-7H,8-10H2,1H3,(H,15,16)/b3-2+
InChIKeyLHOBJCNUWIYCAE-NSCUHMNNSA-N
XLogP2.35
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970142
N-[(3,5-dibromo-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 122097052
methyl (2S)-3-[6-[(E)-3-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]prop-1-enyl]-4-oxo-3H-quinazolin-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 136864064
N-[3-(4-bromophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347756
1-N-[(E)-3-(4-bromophenyl)prop-2-enyl]-4-N-tert-butylcyclohexane-1,4-diamine
CID 58707399
1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120969271
4-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]butanenitrile
CID 130701760
N-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970232
N-[2-(6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972103
1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-2-thiophen-2-ylpropan-2-ol
CID 120971501
1-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120972593
2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl thiohypofluorite
CID 138502696

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(4-bromophenyl)prop-2-enyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[(E)-3-(4-bromophenyl)prop-2-enyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 122097374) is N-[(E)-3-(4-bromophenyl)prop-2-enyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[(E)-3-(4-bromophenyl)prop-2-enyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[(E)-3-(4-bromophenyl)prop-2-enyl]-1-methyl-4,5-dihydroimidazol-2-amine is CN1CCN=C1NC/C=C/c1ccc(Br)cc1.
What is the InChIKey of N-[(E)-3-(4-bromophenyl)prop-2-enyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is LHOBJCNUWIYCAE-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-17-10-9-16-13(17)15-8-2-3-11-4-6-12(14)7-5-11/h2-7H,8-10H2,1H3,(H,15,16)/b3-2+.
What are the key properties of N-[(E)-3-(4-bromophenyl)prop-2-enyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[(E)-3-(4-bromophenyl)prop-2-enyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 294.20 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(4-bromophenyl)prop-2-enyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 122097374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).