1-chloro-2-(3-ethylphenyl)benzene;1,4-dimethylcyclohexane;ethane;ethene;1-methyl-4-prop-2-enylimidazole

C33H49ClN2 — CID 143682668

IUPAC1-chloro-2-(3-ethylphenyl)benzene;1,4-dimethylcyclohexane;ethane;ethene;1-methyl-4-prop-2-enylimidazole
SMILESC=C.C=CCc1cn(C)cn1.CC.CC1CCC(C)CC1.CCc1cccc(-c2ccccc2Cl)c1
InChIInChI=1S/C14H13Cl.C8H16.C7H10N2.C2H6.C2H4/c1-2-11-6-5-7-12(10-11)13-8-3-4-9-14(13)15;1-7-3-5-8(2)6-4-7;1-3-4-7-5-9(2)6-8-7;2*1-2/h3-10H,2H2,1H3;7-8H,3-6H2,1-2H3;3,5-6H,1,4H2,2H3;1-2H3;1-2H2
InChIKeyABOGKBLSRPRBJF-UHFFFAOYSA-N
MW509.22 g/mol
LogP10.38
Rot. Bonds4

About 1-chloro-2-(3-ethylphenyl)benzene;1,4-dimethylcyclohexane;ethane;ethene;1-methyl-4-prop-2-enylimidazole

1-chloro-2-(3-ethylphenyl)benzene;1,4-dimethylcyclohexane;ethane;ethene;1-methyl-4-prop-2-enylimidazole (PubChem CID 143682668) has the molecular formula C33H49ClN2 and a molecular weight of 509.22 g/mol. Its IUPAC name is 1-chloro-2-(3-ethylphenyl)benzene;1,4-dimethylcyclohexane;ethane;ethene;1-methyl-4-prop-2-enylimidazole.

Molecular Properties

Compound Name1-chloro-2-(3-ethylphenyl)benzene;1,4-dimethylcyclohexane;ethane;ethene;1-methyl-4-prop-2-enylimidazole
PubChem CID143682668
Molecular FormulaC33H49ClN2
Molecular Weight509.22 g/mol
Exact Mass508.36
IUPAC Name1-chloro-2-(3-ethylphenyl)benzene;1,4-dimethylcyclohexane;ethane;ethene;1-methyl-4-prop-2-enylimidazole
SMILESC=C.C=CCc1cn(C)cn1.CC.CC1CCC(C)CC1.CCc1cccc(-c2ccccc2Cl)c1
InChIInChI=1S/C14H13Cl.C8H16.C7H10N2.C2H6.C2H4/c1-2-11-6-5-7-12(10-11)13-8-3-4-9-14(13)15;1-7-3-5-8(2)6-4-7;1-3-4-7-5-9(2)6-8-7;2*1-2/h3-10H,2H2,1H3;7-8H,3-6H2,1-2H3;3,5-6H,1,4H2,2H3;1-2H3;1-2H2
InChIKeyABOGKBLSRPRBJF-UHFFFAOYSA-N
XLogP10.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.22
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[(2-Chlorophenyl)methyl]-2-(4-phenylphenyl)ethyl]imidazole
CID 510043
1-[2,3-Bis(2-chlorophenyl)propyl]imidazole
CID 3006887
1H-Imidazole, 4-(2-(2-chlorophenyl)-2-phenylethyl)-, monohydrochloride
CID 3076710
4-Benzyl-1-[(2-chlorophenyl)methyl]imidazol-2-amine
CID 57327923
5-(2-Chlorophenyl)-1-cyclohexyl-imidazole
CID 155925275
4-(2-Chloroethyl)-1-(triphenylmethyl)-1H-imidazole
CID 14239714
4-[[3-[[4-(2-Chloro-4-fluorophenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile
CID 18779174
1-[2-[(2-Chlorophenyl)methyl]-4-fluorophenyl]-5-ethylimidazole
CID 21497383
(2-Chlorophenyl)-methyl-[3-(trifluoromethyl)phenyl]borane;5-methyl-1-octylimidazole
CID 67927469
CID 67927486
CID 67927486
5-[1-(3-Chloro-2-fluorophenyl)ethyl]-1-tritylimidazole
CID 71049713
1-[2-[(2-Chlorophenyl)methyl]-5-fluorophenyl]-5-ethylimidazole
CID 149159721

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(3-ethylphenyl)benzene;1,4-dimethylcyclohexane;ethane;ethene;1-methyl-4-prop-2-enylimidazole?
The IUPAC name of 1-chloro-2-(3-ethylphenyl)benzene;1,4-dimethylcyclohexane;ethane;ethene;1-methyl-4-prop-2-enylimidazole (CID 143682668) is 1-chloro-2-(3-ethylphenyl)benzene;1,4-dimethylcyclohexane;ethane;ethene;1-methyl-4-prop-2-enylimidazole.
What is the SMILES notation for 1-chloro-2-(3-ethylphenyl)benzene;1,4-dimethylcyclohexane;ethane;ethene;1-methyl-4-prop-2-enylimidazole?
The canonical SMILES for 1-chloro-2-(3-ethylphenyl)benzene;1,4-dimethylcyclohexane;ethane;ethene;1-methyl-4-prop-2-enylimidazole is C=C.C=CCc1cn(C)cn1.CC.CC1CCC(C)CC1.CCc1cccc(-c2ccccc2Cl)c1.
What is the InChIKey of 1-chloro-2-(3-ethylphenyl)benzene;1,4-dimethylcyclohexane;ethane;ethene;1-methyl-4-prop-2-enylimidazole?
The InChIKey is ABOGKBLSRPRBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl.C8H16.C7H10N2.C2H6.C2H4/c1-2-11-6-5-7-12(10-11)13-8-3-4-9-14(13)15;1-7-3-5-8(2)6-4-7;1-3-4-7-5-9(2)6-8-7;2*1-2/h3-10H,2H2,1H3;7-8H,3-6H2,1-2H3;3,5-6H,1,4H2,2H3;1-2H3;1-2H2.
What are the key properties of 1-chloro-2-(3-ethylphenyl)benzene;1,4-dimethylcyclohexane;ethane;ethene;1-methyl-4-prop-2-enylimidazole?
1-chloro-2-(3-ethylphenyl)benzene;1,4-dimethylcyclohexane;ethane;ethene;1-methyl-4-prop-2-enylimidazole has a molecular weight of 509.22 g/mol, XLogP of 10.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(3-ethylphenyl)benzene;1,4-dimethylcyclohexane;ethane;ethene;1-methyl-4-prop-2-enylimidazole is sourced from PubChem (CID 143682668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).