1-[4-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]butyl]imidazole

C22H26N2O — CID 70552453

IUPAC1-[4-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]butyl]imidazole
SMILESCOc1ccc(CCC(Cc2ccccc2C)Cn2ccnc2)cc1
InChIInChI=1S/C22H26N2O/c1-18-5-3-4-6-21(18)15-20(16-24-14-13-23-17-24)8-7-19-9-11-22(25-2)12-10-19/h3-6,9-14,17,20H,7-8,15-16H2,1-2H3
InChIKeyCNEHWYGZJMSRAP-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.69
Rot. Bonds8

About 1-[4-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]butyl]imidazole

1-[4-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]butyl]imidazole (PubChem CID 70552453) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]butyl]imidazole.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]butyl]imidazole
PubChem CID70552453
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-[4-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]butyl]imidazole
SMILESCOc1ccc(CCC(Cc2ccccc2C)Cn2ccnc2)cc1
InChIInChI=1S/C22H26N2O/c1-18-5-3-4-6-21(18)15-20(16-24-14-13-23-17-24)8-7-19-9-11-22(25-2)12-10-19/h3-6,9-14,17,20H,7-8,15-16H2,1-2H3
InChIKeyCNEHWYGZJMSRAP-UHFFFAOYSA-N
XLogP4.69
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-benzyl-4-phenylbutyl)imidazole
CID 70559586
1-[4-(4-methylphenyl)-2-[2-(4-methylphenyl)ethyl]butyl]imidazole
CID 70553530
4-[1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-yl]sulfanylaniline
CID 13457340
1-[2,2-bis[(4-methoxyphenyl)methylsulfanyl]ethyl]imidazole
CID 13320333
1-[5-(4-chlorophenyl)-2-(2-phenylethyl)pentyl]imidazole
CID 70554769
1-imidazol-1-yl-4-(4-methoxyphenyl)-2-methylbutan-2-ol
CID 22763056
1-[2-benzyl-5-(4-chlorophenyl)pentyl]imidazole
CID 70554395
1-[2-[2-(4-chlorophenyl)ethyl]-3-(2-methylphenyl)butyl]imidazole
CID 70552342
(2S)-N-(3-imidazol-1-ylpropyl)-1-(2-methylphenyl)propan-2-amine
CID 97228959
4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine
CID 60913277
2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)propanoic acid
CID 60793492
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 61069437

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]butyl]imidazole?
The IUPAC name of 1-[4-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]butyl]imidazole (CID 70552453) is 1-[4-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]butyl]imidazole.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]butyl]imidazole?
The canonical SMILES for 1-[4-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]butyl]imidazole is COc1ccc(CCC(Cc2ccccc2C)Cn2ccnc2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]butyl]imidazole?
The InChIKey is CNEHWYGZJMSRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-18-5-3-4-6-21(18)15-20(16-24-14-13-23-17-24)8-7-19-9-11-22(25-2)12-10-19/h3-6,9-14,17,20H,7-8,15-16H2,1-2H3.
What are the key properties of 1-[4-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]butyl]imidazole?
1-[4-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]butyl]imidazole has a molecular weight of 334.46 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]butyl]imidazole is sourced from PubChem (CID 70552453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).