5-(2-methylhexan-2-yl)-1-(2-methyl-4-phenylphenyl)-2-phenylimidazole

C29H32N2 — CID 157271882

IUPAC5-(2-methylhexan-2-yl)-1-(2-methyl-4-phenylphenyl)-2-phenylimidazole
SMILESCCCCC(C)(C)c1cnc(-c2ccccc2)n1-c1ccc(-c2ccccc2)cc1C
InChIInChI=1S/C29H32N2/c1-5-6-19-29(3,4)27-21-30-28(24-15-11-8-12-16-24)31(27)26-18-17-25(20-22(26)2)23-13-9-7-10-14-23/h7-18,20-21H,5-6,19H2,1-4H3
InChIKeyIURRTSRQLFZHSH-UHFFFAOYSA-N
MW408.59 g/mol
LogP7.98
Rot. Bonds7

About 5-(2-methylhexan-2-yl)-1-(2-methyl-4-phenylphenyl)-2-phenylimidazole

5-(2-methylhexan-2-yl)-1-(2-methyl-4-phenylphenyl)-2-phenylimidazole (PubChem CID 157271882) has the molecular formula C29H32N2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 5-(2-methylhexan-2-yl)-1-(2-methyl-4-phenylphenyl)-2-phenylimidazole.

Molecular Properties

Compound Name5-(2-methylhexan-2-yl)-1-(2-methyl-4-phenylphenyl)-2-phenylimidazole
PubChem CID157271882
Molecular FormulaC29H32N2
Molecular Weight408.59 g/mol
Exact Mass408.26
IUPAC Name5-(2-methylhexan-2-yl)-1-(2-methyl-4-phenylphenyl)-2-phenylimidazole
SMILESCCCCC(C)(C)c1cnc(-c2ccccc2)n1-c1ccc(-c2ccccc2)cc1C
InChIInChI=1S/C29H32N2/c1-5-6-19-29(3,4)27-21-30-28(24-15-11-8-12-16-24)31(27)26-18-17-25(20-22(26)2)23-13-9-7-10-14-23/h7-18,20-21H,5-6,19H2,1-4H3
InChIKeyIURRTSRQLFZHSH-UHFFFAOYSA-N
XLogP7.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(3,5-diphenylphenyl)phenyl]-5-(3-ethylpentan-3-yl)imidazole
CID 164738565
3-(2-methylhexan-2-yl)-4-(2-methylphenyl)-5-[4-(2-phenylpropan-2-yl)phenyl]-1,2,4-triazole
CID 164927645
1-(4-tert-butyl-2-methylphenyl)-5-(9,9-diethylfluoren-3-yl)-2-phenylimidazole
CID 159088090
9-(2-methyl-4-phenylphenyl)carbazole
CID 143868574
4-(4-tert-butyl-2-methylphenyl)-3-(3-methylbenzene-6-id-1-yl)-5-(2-methylhexan-2-yl)-1,2,4-triazole;4-[4-(4-tert-butylphenyl)-2-methylphenyl]-3-(3-methylbenzene-6-id-1-yl)-5-(2-methylhexan-2-yl)-1,2,4-triazole;4-[4-(3,5-ditert-butylphenyl)-2-methylphenyl]-3-(3-methylbenzene-6-id-1-yl)-5-(2-methylhexan-2-yl)-1,2,4-triazole;4-(2,4-dimethylphenyl)-3-(3-methylbenzene-6-id-1-yl)-5-(2-methylhexan-2-yl)-1,2,4-triazole;4-(2,4-dimethylphenyl)-3-(2-methylhexan-2-yl)-5-(3-phenylbenzene-6-id-1-yl)-1,2,4-triazole;pentakis(iridium)
CID 157246103
1-butyl-2-phenyl-5-(trifluoromethyl)imidazole
CID 175241563
2-methyl-1-octoxy-4-phenylbenzene
CID 23393452
3-[3-(4-tert-butylphenyl)phenyl]-4-(2-methyl-4-phenylphenyl)-5-(2-phenylpropan-2-yl)-1,2,4-triazole
CID 164927700
4-[4-(4-tert-butylphenyl)-2-methylphenyl]-3-(3-phenylphenyl)-5-(2,3,3-trimethylbutan-2-yl)-1,2,4-triazole
CID 131973989
4-[4-(4-tert-butylphenyl)-2-ethylphenyl]-3-[3-(4-tert-butylphenyl)phenyl]-5-(2-methyloctan-2-yl)-1,2,4-triazole
CID 131973940
5-(2,2-dimethylpropyl)-4-methyl-2-phenylpyridine
CID 129022095
1-butyl-5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953743

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylhexan-2-yl)-1-(2-methyl-4-phenylphenyl)-2-phenylimidazole?
The IUPAC name of 5-(2-methylhexan-2-yl)-1-(2-methyl-4-phenylphenyl)-2-phenylimidazole (CID 157271882) is 5-(2-methylhexan-2-yl)-1-(2-methyl-4-phenylphenyl)-2-phenylimidazole.
What is the SMILES notation for 5-(2-methylhexan-2-yl)-1-(2-methyl-4-phenylphenyl)-2-phenylimidazole?
The canonical SMILES for 5-(2-methylhexan-2-yl)-1-(2-methyl-4-phenylphenyl)-2-phenylimidazole is CCCCC(C)(C)c1cnc(-c2ccccc2)n1-c1ccc(-c2ccccc2)cc1C.
What is the InChIKey of 5-(2-methylhexan-2-yl)-1-(2-methyl-4-phenylphenyl)-2-phenylimidazole?
The InChIKey is IURRTSRQLFZHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2/c1-5-6-19-29(3,4)27-21-30-28(24-15-11-8-12-16-24)31(27)26-18-17-25(20-22(26)2)23-13-9-7-10-14-23/h7-18,20-21H,5-6,19H2,1-4H3.
What are the key properties of 5-(2-methylhexan-2-yl)-1-(2-methyl-4-phenylphenyl)-2-phenylimidazole?
5-(2-methylhexan-2-yl)-1-(2-methyl-4-phenylphenyl)-2-phenylimidazole has a molecular weight of 408.59 g/mol, XLogP of 7.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylhexan-2-yl)-1-(2-methyl-4-phenylphenyl)-2-phenylimidazole is sourced from PubChem (CID 157271882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).