2-[4,5-bis(2-chlorophenyl)-1-methylimidazol-2-yl]-4,6-ditert-butylphenol

C30H32Cl2N2O — CID 136609130

IUPAC2-[4,5-bis(2-chlorophenyl)-1-methylimidazol-2-yl]-4,6-ditert-butylphenol
SMILESCn1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc(-c2ccccc2Cl)c1-c1ccccc1Cl
InChIInChI=1S/C30H32Cl2N2O/c1-29(2,3)18-16-21(27(35)22(17-18)30(4,5)6)28-33-25(19-12-8-10-14-23(19)31)26(34(28)7)20-13-9-11-15-24(20)32/h8-17,35H,1-7H3
InChIKeyVFCCZOWBPGBEKR-UHFFFAOYSA-N
MW507.51 g/mol
LogP9.03
Rot. Bonds3

About 2-[4,5-bis(2-chlorophenyl)-1-methylimidazol-2-yl]-4,6-ditert-butylphenol

2-[4,5-bis(2-chlorophenyl)-1-methylimidazol-2-yl]-4,6-ditert-butylphenol (PubChem CID 136609130) has the molecular formula C30H32Cl2N2O and a molecular weight of 507.51 g/mol. Its IUPAC name is 2-[4,5-bis(2-chlorophenyl)-1-methylimidazol-2-yl]-4,6-ditert-butylphenol.

Molecular Properties

Compound Name2-[4,5-bis(2-chlorophenyl)-1-methylimidazol-2-yl]-4,6-ditert-butylphenol
PubChem CID136609130
Molecular FormulaC30H32Cl2N2O
Molecular Weight507.51 g/mol
Exact Mass506.19
IUPAC Name2-[4,5-bis(2-chlorophenyl)-1-methylimidazol-2-yl]-4,6-ditert-butylphenol
SMILESCn1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc(-c2ccccc2Cl)c1-c1ccccc1Cl
InChIInChI=1S/C30H32Cl2N2O/c1-29(2,3)18-16-21(27(35)22(17-18)30(4,5)6)28-33-25(19-12-8-10-14-23(19)31)26(34(28)7)20-13-9-11-15-24(20)32/h8-17,35H,1-7H3
InChIKeyVFCCZOWBPGBEKR-UHFFFAOYSA-N
XLogP9.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.51
LogP ≤ 59.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-ditert-butyl-6-phenylphenol;titanium
CID 175919247
4-tert-butyl-2-carbazol-9-yl-6-[1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]phenol
CID 136609136
2,4-ditert-butyl-6-[1-methyl-4-[3-(4-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140931695
2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864887
2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140832113
2,4-ditert-butyl-6-[4-tert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)-2-pyridinyl]phenol
CID 136669231
2,4-ditert-butyl-6-[6-(2-fluorophenyl)-2-pyridinyl]phenol
CID 136790275
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-methyl-4-trimethylsilyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]phenol
CID 140931879
2,4-ditert-butyl-6-[1-methyl-4-[3-(2-phenylpropan-2-yl)-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 164743078
2,4-ditert-butyl-6-[1-methyl-4-[3-methyl-5-(4-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140931921
2,4-ditert-butyl-6-[3-methyl-7-[3-(5-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140865261
2-(benzotriazol-2-yl)-4,6-ditert-butylphenol
CID 158028605

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(2-chlorophenyl)-1-methylimidazol-2-yl]-4,6-ditert-butylphenol?
The IUPAC name of 2-[4,5-bis(2-chlorophenyl)-1-methylimidazol-2-yl]-4,6-ditert-butylphenol (CID 136609130) is 2-[4,5-bis(2-chlorophenyl)-1-methylimidazol-2-yl]-4,6-ditert-butylphenol.
What is the SMILES notation for 2-[4,5-bis(2-chlorophenyl)-1-methylimidazol-2-yl]-4,6-ditert-butylphenol?
The canonical SMILES for 2-[4,5-bis(2-chlorophenyl)-1-methylimidazol-2-yl]-4,6-ditert-butylphenol is Cn1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc(-c2ccccc2Cl)c1-c1ccccc1Cl.
What is the InChIKey of 2-[4,5-bis(2-chlorophenyl)-1-methylimidazol-2-yl]-4,6-ditert-butylphenol?
The InChIKey is VFCCZOWBPGBEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32Cl2N2O/c1-29(2,3)18-16-21(27(35)22(17-18)30(4,5)6)28-33-25(19-12-8-10-14-23(19)31)26(34(28)7)20-13-9-11-15-24(20)32/h8-17,35H,1-7H3.
What are the key properties of 2-[4,5-bis(2-chlorophenyl)-1-methylimidazol-2-yl]-4,6-ditert-butylphenol?
2-[4,5-bis(2-chlorophenyl)-1-methylimidazol-2-yl]-4,6-ditert-butylphenol has a molecular weight of 507.51 g/mol, XLogP of 9.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(2-chlorophenyl)-1-methylimidazol-2-yl]-4,6-ditert-butylphenol is sourced from PubChem (CID 136609130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).