1-[2-[2-(4-chlorophenyl)ethyl]-3-(2-methylphenyl)butyl]imidazole

C22H25ClN2 — CID 70552342

IUPAC1-[2-[2-(4-chlorophenyl)ethyl]-3-(2-methylphenyl)butyl]imidazole
SMILESCc1ccccc1C(C)C(CCc1ccc(Cl)cc1)Cn1ccnc1
InChIInChI=1S/C22H25ClN2/c1-17-5-3-4-6-22(17)18(2)20(15-25-14-13-24-16-25)10-7-19-8-11-21(23)12-9-19/h3-6,8-9,11-14,16,18,20H,7,10,15H2,1-2H3
InChIKeyMICZOTNGJSITRE-UHFFFAOYSA-N
MW352.91 g/mol
LogP5.90
Rot. Bonds7

About 1-[2-[2-(4-chlorophenyl)ethyl]-3-(2-methylphenyl)butyl]imidazole

1-[2-[2-(4-chlorophenyl)ethyl]-3-(2-methylphenyl)butyl]imidazole (PubChem CID 70552342) has the molecular formula C22H25ClN2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 1-[2-[2-(4-chlorophenyl)ethyl]-3-(2-methylphenyl)butyl]imidazole.

Molecular Properties

Compound Name1-[2-[2-(4-chlorophenyl)ethyl]-3-(2-methylphenyl)butyl]imidazole
PubChem CID70552342
Molecular FormulaC22H25ClN2
Molecular Weight352.91 g/mol
Exact Mass352.17
IUPAC Name1-[2-[2-(4-chlorophenyl)ethyl]-3-(2-methylphenyl)butyl]imidazole
SMILESCc1ccccc1C(C)C(CCc1ccc(Cl)cc1)Cn1ccnc1
InChIInChI=1S/C22H25ClN2/c1-17-5-3-4-6-22(17)18(2)20(15-25-14-13-24-16-25)10-7-19-8-11-21(23)12-9-19/h3-6,8-9,11-14,16,18,20H,7,10,15H2,1-2H3
InChIKeyMICZOTNGJSITRE-UHFFFAOYSA-N
XLogP5.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.91
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-chlorophenyl)-2-(2-phenylethyl)pentyl]imidazole
CID 70554769
1-[2-benzyl-5-(4-chlorophenyl)pentyl]imidazole
CID 70554395
1-[4-(4-methylphenyl)-2-[2-(4-methylphenyl)ethyl]butyl]imidazole
CID 70553530
1-[4-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]butyl]imidazole
CID 70552453
1-[4-(4-chlorophenyl)-2-(2,3,6-trichlorophenyl)sulfanylbutyl]imidazole
CID 162180732
1-[3-methyl-3-phenyl-2-(2-phenylethyl)butyl]imidazole
CID 70550713
1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanylbutyl]imidazole;nitric acid
CID 57345777
1-(2-benzyl-4-phenylbutyl)imidazole
CID 70559586
N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-N-methylbenzamide
CID 70473677
1-[2,2-bis[(4-chlorophenyl)methylsulfanyl]ethyl]imidazole;hydrochloride
CID 13320313
1-[4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butyl]imidazole
CID 3006905
1-[4-(4-chlorophenyl)-2-[(2,5-dichlorothiophen-3-yl)methoxy]butyl]imidazole
CID 23457747

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-chlorophenyl)ethyl]-3-(2-methylphenyl)butyl]imidazole?
The IUPAC name of 1-[2-[2-(4-chlorophenyl)ethyl]-3-(2-methylphenyl)butyl]imidazole (CID 70552342) is 1-[2-[2-(4-chlorophenyl)ethyl]-3-(2-methylphenyl)butyl]imidazole.
What is the SMILES notation for 1-[2-[2-(4-chlorophenyl)ethyl]-3-(2-methylphenyl)butyl]imidazole?
The canonical SMILES for 1-[2-[2-(4-chlorophenyl)ethyl]-3-(2-methylphenyl)butyl]imidazole is Cc1ccccc1C(C)C(CCc1ccc(Cl)cc1)Cn1ccnc1.
What is the InChIKey of 1-[2-[2-(4-chlorophenyl)ethyl]-3-(2-methylphenyl)butyl]imidazole?
The InChIKey is MICZOTNGJSITRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2/c1-17-5-3-4-6-22(17)18(2)20(15-25-14-13-24-16-25)10-7-19-8-11-21(23)12-9-19/h3-6,8-9,11-14,16,18,20H,7,10,15H2,1-2H3.
What are the key properties of 1-[2-[2-(4-chlorophenyl)ethyl]-3-(2-methylphenyl)butyl]imidazole?
1-[2-[2-(4-chlorophenyl)ethyl]-3-(2-methylphenyl)butyl]imidazole has a molecular weight of 352.91 g/mol, XLogP of 5.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-chlorophenyl)ethyl]-3-(2-methylphenyl)butyl]imidazole is sourced from PubChem (CID 70552342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).