ethane;2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole

C13H18N2 — CID 145111206

IUPACethane;2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole
SMILESC(=C/c1ccccc1)\C1=NCCN1.CC
InChIInChI=1S/C11H12N2.C2H6/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11;1-2/h1-7H,8-9H2,(H,12,13);1-2H3/b7-6+;
InChIKeyLGIFFLYZVZZQIT-UHDJGPCESA-N
MW202.30 g/mol
LogP2.73
Rot. Bonds2

About ethane;2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole

ethane;2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole (PubChem CID 145111206) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is ethane;2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Nameethane;2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole
PubChem CID145111206
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Nameethane;2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole
SMILESC(=C/c1ccccc1)\C1=NCCN1.CC
InChIInChI=1S/C11H12N2.C2H6/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11;1-2/h1-7H,8-9H2,(H,12,13);1-2H3/b7-6+;
InChIKeyLGIFFLYZVZZQIT-UHDJGPCESA-N
XLogP2.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole
CID 6455104
N-[4-[(E)-2-(4,5-dihydro-1H-imidazol-2-yl)ethenyl]phenyl]-4-phenylbenzamide
CID 21063030
N-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethenyl]phenyl]-2-(4-phenylphenyl)acetamide;hydrochloride
CID 139903213
2-[(E)-2-(2-prop-2-enylphenyl)ethenyl]-4,5-dihydro-1H-imidazole
CID 134149322
2-[[4-(2-phenylethenyl)phenoxy]methyl]-4,5-dihydro-1H-imidazole
CID 174606472
N,N-dimethylmethanamine;stilbene
CID 174368184
1,4-bis(2-phenylethenyl)benzene;carbanide;ethane;ethane;methane;tetrakis(yttrium)
CID 159183097
ethane;5-[(E)-2-phenylethenyl]-1H-pyrazole
CID 90810948
CID 70567885
CID 70567885
CID 70569152
CID 70569152
acetic acid;stilbene
CID 172803728
ethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine
CID 90984879

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of ethane;2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole (CID 145111206) is ethane;2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for ethane;2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for ethane;2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole is C(=C/c1ccccc1)\C1=NCCN1.CC.
What is the InChIKey of ethane;2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is LGIFFLYZVZZQIT-UHDJGPCESA-N. The full InChI is InChI=1S/C11H12N2.C2H6/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11;1-2/h1-7H,8-9H2,(H,12,13);1-2H3/b7-6+;.
What are the key properties of ethane;2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole?
ethane;2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 202.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 145111206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).