1-(2-benzyl-4-phenylbutyl)imidazole

C20H22N2 — CID 70559586

IUPAC1-(2-benzyl-4-phenylbutyl)imidazole
SMILESc1ccc(CCC(Cc2ccccc2)Cn2ccnc2)cc1
InChIInChI=1S/C20H22N2/c1-3-7-18(8-4-1)11-12-20(16-22-14-13-21-17-22)15-19-9-5-2-6-10-19/h1-10,13-14,17,20H,11-12,15-16H2
InChIKeySRRWOCVBXCBVKC-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.37
Rot. Bonds7

About 1-(2-benzyl-4-phenylbutyl)imidazole

1-(2-benzyl-4-phenylbutyl)imidazole (PubChem CID 70559586) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(2-benzyl-4-phenylbutyl)imidazole.

Molecular Properties

Compound Name1-(2-benzyl-4-phenylbutyl)imidazole
PubChem CID70559586
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name1-(2-benzyl-4-phenylbutyl)imidazole
SMILESc1ccc(CCC(Cc2ccccc2)Cn2ccnc2)cc1
InChIInChI=1S/C20H22N2/c1-3-7-18(8-4-1)11-12-20(16-22-14-13-21-17-22)15-19-9-5-2-6-10-19/h1-10,13-14,17,20H,11-12,15-16H2
InChIKeySRRWOCVBXCBVKC-UHFFFAOYSA-N
XLogP4.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.37
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-[5-(4-chlorophenyl)-2-(2-phenylethyl)pentyl]imidazole
CID 70554769
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-[3-methyl-3-phenyl-2-(2-phenylethyl)butyl]imidazole
CID 70550713
1-imidazol-1-yl-5-phenylpentan-3-ol
CID 21415241
2-benzyl-3-imidazol-1-ylpropanoic acid
CID 15018131
1-(8-phenyloctyl)imidazole
CID 102394184
methyl 2-benzyl-3-imidazol-1-ylpropanoate
CID 15018129
2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide
CID 61325742
2-imidazol-1-yl-1-phenylethanamine
CID 5195236
2-benzyl-6-imidazol-1-ylhexanoic acid
CID 70440938

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-4-phenylbutyl)imidazole?
The IUPAC name of 1-(2-benzyl-4-phenylbutyl)imidazole (CID 70559586) is 1-(2-benzyl-4-phenylbutyl)imidazole.
What is the SMILES notation for 1-(2-benzyl-4-phenylbutyl)imidazole?
The canonical SMILES for 1-(2-benzyl-4-phenylbutyl)imidazole is c1ccc(CCC(Cc2ccccc2)Cn2ccnc2)cc1.
What is the InChIKey of 1-(2-benzyl-4-phenylbutyl)imidazole?
The InChIKey is SRRWOCVBXCBVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-3-7-18(8-4-1)11-12-20(16-22-14-13-21-17-22)15-19-9-5-2-6-10-19/h1-10,13-14,17,20H,11-12,15-16H2.
What are the key properties of 1-(2-benzyl-4-phenylbutyl)imidazole?
1-(2-benzyl-4-phenylbutyl)imidazole has a molecular weight of 290.41 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-4-phenylbutyl)imidazole is sourced from PubChem (CID 70559586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).