2-[1-(2-chloro-3-methylphenoxy)but-3-enyl]-4,5-dihydro-1H-imidazole

C14H17ClN2O — CID 143735077

IUPAC2-[1-(2-chloro-3-methylphenoxy)but-3-enyl]-4,5-dihydro-1H-imidazole
SMILESC=CCC(Oc1cccc(C)c1Cl)C1=NCCN1
InChIInChI=1S/C14H17ClN2O/c1-3-5-12(14-16-8-9-17-14)18-11-7-4-6-10(2)13(11)15/h3-4,6-7,12H,1,5,8-9H2,2H3,(H,16,17)
InChIKeyQJCNPHIZNRBBKH-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.97
Rot. Bonds5

About 2-[1-(2-chloro-3-methylphenoxy)but-3-enyl]-4,5-dihydro-1H-imidazole

2-[1-(2-chloro-3-methylphenoxy)but-3-enyl]-4,5-dihydro-1H-imidazole (PubChem CID 143735077) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-[1-(2-chloro-3-methylphenoxy)but-3-enyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[1-(2-chloro-3-methylphenoxy)but-3-enyl]-4,5-dihydro-1H-imidazole
PubChem CID143735077
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-[1-(2-chloro-3-methylphenoxy)but-3-enyl]-4,5-dihydro-1H-imidazole
SMILESC=CCC(Oc1cccc(C)c1Cl)C1=NCCN1
InChIInChI=1S/C14H17ClN2O/c1-3-5-12(14-16-8-9-17-14)18-11-7-4-6-10(2)13(11)15/h3-4,6-7,12H,1,5,8-9H2,2H3,(H,16,17)
InChIKeyQJCNPHIZNRBBKH-UHFFFAOYSA-N
XLogP2.97
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2,3-dichlorophenoxy)propyl]-4,5-dihydro-1H-imidazole
CID 23454828
2-[1-(2,3-dichlorophenoxy)butyl]-4,5-dihydro-1H-imidazole
CID 23454825
2-[1-(3-chloro-2-methylphenoxy)propyl]-4,5-dihydro-1H-imidazole
CID 23454827
2-chloro-3-methylphenol;2-(2-chloro-3-methylphenoxy)butanenitrile;2-[1-(2-chloro-3-methylphenoxy)propyl]-4,5-dihydro-1H-imidazole;1-cyanopropyl methanesulfonate
CID 160676739
2-[1-(2-prop-2-enylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
CID 24906198
2-[1-[2-fluoro-3-(trifluoromethyl)phenoxy]-2-methoxyethyl]-4,5-dihydro-1H-imidazole
CID 143735080
4,5-dihydro-1H-imidazol-2-yl-(2-methyl-3-prop-2-enylphenyl)methanamine;hydrochloride
CID 19889718
(E)-1-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]-N-ethoxymethanimine
CID 24906196
1-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methoxyphenyl)-N,N-dimethylmethanamine
CID 82023568
2-(2,3-dichlorophenoxy)-2-(2-methylphenyl)ethanamine
CID 55018621
O-(2-chloro-3-methylphenyl)hydroxylamine;hydrochloride
CID 173447819
1-(2-chloro-3-methylphenyl)pent-4-en-1-ol
CID 115804889

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-3-methylphenoxy)but-3-enyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[1-(2-chloro-3-methylphenoxy)but-3-enyl]-4,5-dihydro-1H-imidazole (CID 143735077) is 2-[1-(2-chloro-3-methylphenoxy)but-3-enyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[1-(2-chloro-3-methylphenoxy)but-3-enyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[1-(2-chloro-3-methylphenoxy)but-3-enyl]-4,5-dihydro-1H-imidazole is C=CCC(Oc1cccc(C)c1Cl)C1=NCCN1.
What is the InChIKey of 2-[1-(2-chloro-3-methylphenoxy)but-3-enyl]-4,5-dihydro-1H-imidazole?
The InChIKey is QJCNPHIZNRBBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-3-5-12(14-16-8-9-17-14)18-11-7-4-6-10(2)13(11)15/h3-4,6-7,12H,1,5,8-9H2,2H3,(H,16,17).
What are the key properties of 2-[1-(2-chloro-3-methylphenoxy)but-3-enyl]-4,5-dihydro-1H-imidazole?
2-[1-(2-chloro-3-methylphenoxy)but-3-enyl]-4,5-dihydro-1H-imidazole has a molecular weight of 264.76 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-3-methylphenoxy)but-3-enyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 143735077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).