1-[5-(4-chlorophenyl)-2-(2-phenylethyl)pentyl]imidazole

C22H25ClN2 — CID 70554769

IUPAC1-[5-(4-chlorophenyl)-2-(2-phenylethyl)pentyl]imidazole
SMILESClc1ccc(CCCC(CCc2ccccc2)Cn2ccnc2)cc1
InChIInChI=1S/C22H25ClN2/c23-22-13-11-20(12-14-22)7-4-8-21(17-25-16-15-24-18-25)10-9-19-5-2-1-3-6-19/h1-3,5-6,11-16,18,21H,4,7-10,17H2
InChIKeyFFLHVJUIYMWKQX-UHFFFAOYSA-N
MW352.91 g/mol
LogP5.81
Rot. Bonds9

About 1-[5-(4-chlorophenyl)-2-(2-phenylethyl)pentyl]imidazole

1-[5-(4-chlorophenyl)-2-(2-phenylethyl)pentyl]imidazole (PubChem CID 70554769) has the molecular formula C22H25ClN2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-2-(2-phenylethyl)pentyl]imidazole.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-2-(2-phenylethyl)pentyl]imidazole
PubChem CID70554769
Molecular FormulaC22H25ClN2
Molecular Weight352.91 g/mol
Exact Mass352.17
IUPAC Name1-[5-(4-chlorophenyl)-2-(2-phenylethyl)pentyl]imidazole
SMILESClc1ccc(CCCC(CCc2ccccc2)Cn2ccnc2)cc1
InChIInChI=1S/C22H25ClN2/c23-22-13-11-20(12-14-22)7-4-8-21(17-25-16-15-24-18-25)10-9-19-5-2-1-3-6-19/h1-3,5-6,11-16,18,21H,4,7-10,17H2
InChIKeyFFLHVJUIYMWKQX-UHFFFAOYSA-N
XLogP5.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.91
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-benzyl-5-(4-chlorophenyl)pentyl]imidazole
CID 70554395
1-(2-benzyl-4-phenylbutyl)imidazole
CID 70559586
1-[4-(4-methylphenyl)-2-[2-(4-methylphenyl)ethyl]butyl]imidazole
CID 70553530
1-[2-[2-(4-chlorophenyl)ethyl]-3-(2-methylphenyl)butyl]imidazole
CID 70552342
1-(8-phenyloctyl)imidazole
CID 102394184
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-imidazol-1-yl-5-phenylpentan-3-ol
CID 21415241
1-[4-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]butyl]imidazole
CID 70552453
1-[2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]imidazole
CID 21443191
sodium;4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylbenzoic acid;hydride
CID 173353595
N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-N-methylbenzamide
CID 70473677

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-2-(2-phenylethyl)pentyl]imidazole?
The IUPAC name of 1-[5-(4-chlorophenyl)-2-(2-phenylethyl)pentyl]imidazole (CID 70554769) is 1-[5-(4-chlorophenyl)-2-(2-phenylethyl)pentyl]imidazole.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-2-(2-phenylethyl)pentyl]imidazole?
The canonical SMILES for 1-[5-(4-chlorophenyl)-2-(2-phenylethyl)pentyl]imidazole is Clc1ccc(CCCC(CCc2ccccc2)Cn2ccnc2)cc1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-2-(2-phenylethyl)pentyl]imidazole?
The InChIKey is FFLHVJUIYMWKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2/c23-22-13-11-20(12-14-22)7-4-8-21(17-25-16-15-24-18-25)10-9-19-5-2-1-3-6-19/h1-3,5-6,11-16,18,21H,4,7-10,17H2.
What are the key properties of 1-[5-(4-chlorophenyl)-2-(2-phenylethyl)pentyl]imidazole?
1-[5-(4-chlorophenyl)-2-(2-phenylethyl)pentyl]imidazole has a molecular weight of 352.91 g/mol, XLogP of 5.81, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-2-(2-phenylethyl)pentyl]imidazole is sourced from PubChem (CID 70554769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).