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

C13H17ClN2O — CID 23454827

IUPAC2-[1-(3-chloro-2-methylphenoxy)propyl]-4,5-dihydro-1H-imidazole
SMILESCCC(Oc1cccc(Cl)c1C)C1=NCCN1
InChIInChI=1S/C13H17ClN2O/c1-3-11(13-15-7-8-16-13)17-12-6-4-5-10(14)9(12)2/h4-6,11H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyQTUNEHXPFOVKKX-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.81
Rot. Bonds4

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

2-[1-(3-chloro-2-methylphenoxy)propyl]-4,5-dihydro-1H-imidazole (PubChem CID 23454827) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-[1-(3-chloro-2-methylphenoxy)propyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[1-(3-chloro-2-methylphenoxy)propyl]-4,5-dihydro-1H-imidazole
PubChem CID23454827
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-[1-(3-chloro-2-methylphenoxy)propyl]-4,5-dihydro-1H-imidazole
SMILESCCC(Oc1cccc(Cl)c1C)C1=NCCN1
InChIInChI=1S/C13H17ClN2O/c1-3-11(13-15-7-8-16-13)17-12-6-4-5-10(14)9(12)2/h4-6,11H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyQTUNEHXPFOVKKX-UHFFFAOYSA-N
XLogP2.81
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-(2-chloro-3-methylphenoxy)but-3-enyl]-4,5-dihydro-1H-imidazole
CID 143735077
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-[(3-chloro-2-methylphenyl)sulfanylmethyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 14878238
2-[1-(2-chloro-6-(18F)fluorophenoxy)ethyl]-4,5-dihydro-1H-imidazole
CID 46851237
2-[1-(3-bromophenyl)propyl]-4,5-dihydro-1H-imidazole
CID 58951733
N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;ethanol
CID 122517146
1-chloro-2-[1-(2-methylphenoxy)propyl]benzene
CID 174455453
3-[(3-chloro-2-methylphenoxy)-cyclopropylmethyl]pyrrolidine
CID 76656768
3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-ethylsulfanylethyl]pyrrolidine
CID 66859931
1-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methoxyphenyl)-N,N-dimethylmethanamine
CID 82023568

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-2-methylphenoxy)propyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[1-(3-chloro-2-methylphenoxy)propyl]-4,5-dihydro-1H-imidazole (CID 23454827) is 2-[1-(3-chloro-2-methylphenoxy)propyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[1-(3-chloro-2-methylphenoxy)propyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[1-(3-chloro-2-methylphenoxy)propyl]-4,5-dihydro-1H-imidazole is CCC(Oc1cccc(Cl)c1C)C1=NCCN1.
What is the InChIKey of 2-[1-(3-chloro-2-methylphenoxy)propyl]-4,5-dihydro-1H-imidazole?
The InChIKey is QTUNEHXPFOVKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-3-11(13-15-7-8-16-13)17-12-6-4-5-10(14)9(12)2/h4-6,11H,3,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(3-chloro-2-methylphenoxy)propyl]-4,5-dihydro-1H-imidazole?
2-[1-(3-chloro-2-methylphenoxy)propyl]-4,5-dihydro-1H-imidazole has a molecular weight of 252.74 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-2-methylphenoxy)propyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 23454827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).