5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole

C12H13ClN2 — CID 142129139

IUPAC5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole
SMILESCC(c1ccc(Cl)cc1)c1cncn1C
InChIInChI=1S/C12H13ClN2/c1-9(12-7-14-8-15(12)2)10-3-5-11(13)6-4-10/h3-9H,1-2H3
InChIKeyDUIWMIVHIJEMCU-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.23
Rot. Bonds2

About 5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole

5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole (PubChem CID 142129139) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole
PubChem CID142129139
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole
SMILESCC(c1ccc(Cl)cc1)c1cncn1C
InChIInChI=1S/C12H13ClN2/c1-9(12-7-14-8-15(12)2)10-3-5-11(13)6-4-10/h3-9H,1-2H3
InChIKeyDUIWMIVHIJEMCU-UHFFFAOYSA-N
XLogP3.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 66117765
(1S)-1-(3-methylimidazol-4-yl)ethanamine
CID 82898137
5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole;4-(3-chlorophenyl)-N-pyridin-2-ylquinoline-2-carboxamide
CID 142129138
[(2,5-dichlorophenyl)-(3-methylimidazol-4-yl)methyl]hydrazine
CID 105264678
2-(2,4-dichlorophenyl)-1-(3-methylimidazol-4-yl)ethanol
CID 66116714
1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82903595
1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 63000910
[(4-fluoro-3-methylphenyl)-(3-methylimidazol-4-yl)methyl]hydrazine
CID 105264560
ethane;N-methyl-1-(3-methylimidazol-4-yl)ethanamine
CID 143252273
N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 82903741
N-[(3-chloro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine
CID 107560646
3-[1-(4-chlorophenyl)ethyl]imidazole-4-carbaldehyde
CID 57092167

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole?
The IUPAC name of 5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole (CID 142129139) is 5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole.
What is the SMILES notation for 5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole?
The canonical SMILES for 5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole is CC(c1ccc(Cl)cc1)c1cncn1C.
What is the InChIKey of 5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole?
The InChIKey is DUIWMIVHIJEMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-9(12-7-14-8-15(12)2)10-3-5-11(13)6-4-10/h3-9H,1-2H3.
What are the key properties of 5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole?
5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole has a molecular weight of 220.70 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)ethyl]-1-methylimidazole is sourced from PubChem (CID 142129139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).