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

C21H23ClN2 — CID 70554395

IUPAC1-[2-benzyl-5-(4-chlorophenyl)pentyl]imidazole
SMILESClc1ccc(CCCC(Cc2ccccc2)Cn2ccnc2)cc1
InChIInChI=1S/C21H23ClN2/c22-21-11-9-18(10-12-21)7-4-8-20(16-24-14-13-23-17-24)15-19-5-2-1-3-6-19/h1-3,5-6,9-14,17,20H,4,7-8,15-16H2
InChIKeyPIVKQTWLBXTYOU-UHFFFAOYSA-N
MW338.88 g/mol
LogP5.42
Rot. Bonds8

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

1-[2-benzyl-5-(4-chlorophenyl)pentyl]imidazole (PubChem CID 70554395) has the molecular formula C21H23ClN2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 1-[2-benzyl-5-(4-chlorophenyl)pentyl]imidazole.

Molecular Properties

Compound Name1-[2-benzyl-5-(4-chlorophenyl)pentyl]imidazole
PubChem CID70554395
Molecular FormulaC21H23ClN2
Molecular Weight338.88 g/mol
Exact Mass338.15
IUPAC Name1-[2-benzyl-5-(4-chlorophenyl)pentyl]imidazole
SMILESClc1ccc(CCCC(Cc2ccccc2)Cn2ccnc2)cc1
InChIInChI=1S/C21H23ClN2/c22-21-11-9-18(10-12-21)7-4-8-20(16-24-14-13-23-17-24)15-19-5-2-1-3-6-19/h1-3,5-6,9-14,17,20H,4,7-8,15-16H2
InChIKeyPIVKQTWLBXTYOU-UHFFFAOYSA-N
XLogP5.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.88
LogP ≤ 55.42
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-4-phenylbutyl)imidazole
CID 70559586
2-benzyl-3-imidazol-1-ylpropanoic acid
CID 15018131
1-[2-[2-(4-chlorophenyl)ethyl]-3-(2-methylphenyl)butyl]imidazole
CID 70552342
1-(8-phenyloctyl)imidazole
CID 102394184
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-[2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]imidazole
CID 21443191
1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine
CID 57069299
sodium;4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanylbenzoic acid;hydride
CID 173353595
1-[2,2-bis[(4-chlorophenyl)methylsulfanyl]ethyl]imidazole;hydrochloride
CID 13320313
1-[4-(4-chlorophenyl)-2-(2,3,6-trichlorophenyl)sulfanylbutyl]imidazole
CID 162180732

Frequently Asked Questions

What is the IUPAC name of 1-[2-benzyl-5-(4-chlorophenyl)pentyl]imidazole?
The IUPAC name of 1-[2-benzyl-5-(4-chlorophenyl)pentyl]imidazole (CID 70554395) is 1-[2-benzyl-5-(4-chlorophenyl)pentyl]imidazole.
What is the SMILES notation for 1-[2-benzyl-5-(4-chlorophenyl)pentyl]imidazole?
The canonical SMILES for 1-[2-benzyl-5-(4-chlorophenyl)pentyl]imidazole is Clc1ccc(CCCC(Cc2ccccc2)Cn2ccnc2)cc1.
What is the InChIKey of 1-[2-benzyl-5-(4-chlorophenyl)pentyl]imidazole?
The InChIKey is PIVKQTWLBXTYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2/c22-21-11-9-18(10-12-21)7-4-8-20(16-24-14-13-23-17-24)15-19-5-2-1-3-6-19/h1-3,5-6,9-14,17,20H,4,7-8,15-16H2.
What are the key properties of 1-[2-benzyl-5-(4-chlorophenyl)pentyl]imidazole?
1-[2-benzyl-5-(4-chlorophenyl)pentyl]imidazole has a molecular weight of 338.88 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-benzyl-5-(4-chlorophenyl)pentyl]imidazole is sourced from PubChem (CID 70554395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).