1-[3-methyl-3-phenyl-2-(2-phenylethyl)butyl]imidazole

C22H26N2 — CID 70550713

IUPAC1-[3-methyl-3-phenyl-2-(2-phenylethyl)butyl]imidazole
SMILESCC(C)(c1ccccc1)C(CCc1ccccc1)Cn1ccnc1
InChIInChI=1S/C22H26N2/c1-22(2,20-11-7-4-8-12-20)21(17-24-16-15-23-18-24)14-13-19-9-5-3-6-10-19/h3-12,15-16,18,21H,13-14,17H2,1-2H3
InChIKeyNHPGQEQUNNTHKJ-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.11
Rot. Bonds7

About 1-[3-methyl-3-phenyl-2-(2-phenylethyl)butyl]imidazole

1-[3-methyl-3-phenyl-2-(2-phenylethyl)butyl]imidazole (PubChem CID 70550713) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-[3-methyl-3-phenyl-2-(2-phenylethyl)butyl]imidazole.

Molecular Properties

Compound Name1-[3-methyl-3-phenyl-2-(2-phenylethyl)butyl]imidazole
PubChem CID70550713
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name1-[3-methyl-3-phenyl-2-(2-phenylethyl)butyl]imidazole
SMILESCC(C)(c1ccccc1)C(CCc1ccccc1)Cn1ccnc1
InChIInChI=1S/C22H26N2/c1-22(2,20-11-7-4-8-12-20)21(17-24-16-15-23-18-24)14-13-19-9-5-3-6-10-19/h3-12,15-16,18,21H,13-14,17H2,1-2H3
InChIKeyNHPGQEQUNNTHKJ-UHFFFAOYSA-N
XLogP5.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-benzyl-4-phenylbutyl)imidazole
CID 70559586
1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol
CID 22762802
1-imidazol-1-yl-5-phenylpentan-3-ol
CID 21415241
1-[5-(4-chlorophenyl)-2-(2-phenylethyl)pentyl]imidazole
CID 70554769
1-(8-phenyloctyl)imidazole
CID 102394184
1-[4-(4-methylphenyl)-2-[2-(4-methylphenyl)ethyl]butyl]imidazole
CID 70553530
N-(benzylsulfamoyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 56867771
1-(2,2,2-triphenylethyl)imidazole
CID 53325760
1-[2-benzyl-5-(4-chlorophenyl)pentyl]imidazole
CID 70554395
1-(4-methyl-1-phenylpentan-3-yl)imidazole
CID 69408176
1-[2-[2-(4-chlorophenyl)ethyl]-3-(2-methylphenyl)butyl]imidazole
CID 70552342
N-(2-imidazol-1-ylethyl)-4-methyl-4-phenylpentan-2-amine
CID 61326348

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-3-phenyl-2-(2-phenylethyl)butyl]imidazole?
The IUPAC name of 1-[3-methyl-3-phenyl-2-(2-phenylethyl)butyl]imidazole (CID 70550713) is 1-[3-methyl-3-phenyl-2-(2-phenylethyl)butyl]imidazole.
What is the SMILES notation for 1-[3-methyl-3-phenyl-2-(2-phenylethyl)butyl]imidazole?
The canonical SMILES for 1-[3-methyl-3-phenyl-2-(2-phenylethyl)butyl]imidazole is CC(C)(c1ccccc1)C(CCc1ccccc1)Cn1ccnc1.
What is the InChIKey of 1-[3-methyl-3-phenyl-2-(2-phenylethyl)butyl]imidazole?
The InChIKey is NHPGQEQUNNTHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-22(2,20-11-7-4-8-12-20)21(17-24-16-15-23-18-24)14-13-19-9-5-3-6-10-19/h3-12,15-16,18,21H,13-14,17H2,1-2H3.
What are the key properties of 1-[3-methyl-3-phenyl-2-(2-phenylethyl)butyl]imidazole?
1-[3-methyl-3-phenyl-2-(2-phenylethyl)butyl]imidazole has a molecular weight of 318.46 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-3-phenyl-2-(2-phenylethyl)butyl]imidazole is sourced from PubChem (CID 70550713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).