2-[4-[3-(3-phenyl-2H-imidazol-1-yl)phenyl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol

C39H42N4O — CID 162491859

IUPAC2-[4-[3-(3-phenyl-2H-imidazol-1-yl)phenyl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol
SMILESCC(C)c1cc(C(C)C)c(-n2cc(-c3cccc(N4C=CN(c5ccccc5)C4)c3)nc2-c2ccccc2O)c(C(C)C)c1
InChIInChI=1S/C39H42N4O/c1-26(2)30-22-34(27(3)4)38(35(23-30)28(5)6)43-24-36(40-39(43)33-17-10-11-18-37(33)44)29-13-12-16-32(21-29)42-20-19-41(25-42)31-14-8-7-9-15-31/h7-24,26-28,44H,25H2,1-6H3
InChIKeyCFOWUTCZXHXESV-UHFFFAOYSA-N
MW582.79 g/mol
LogP10.04
Rot. Bonds8

About 2-[4-[3-(3-phenyl-2H-imidazol-1-yl)phenyl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol

2-[4-[3-(3-phenyl-2H-imidazol-1-yl)phenyl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol (PubChem CID 162491859) has the molecular formula C39H42N4O and a molecular weight of 582.79 g/mol. Its IUPAC name is 2-[4-[3-(3-phenyl-2H-imidazol-1-yl)phenyl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[3-(3-phenyl-2H-imidazol-1-yl)phenyl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol
PubChem CID162491859
Molecular FormulaC39H42N4O
Molecular Weight582.79 g/mol
Exact Mass582.34
IUPAC Name2-[4-[3-(3-phenyl-2H-imidazol-1-yl)phenyl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol
SMILESCC(C)c1cc(C(C)C)c(-n2cc(-c3cccc(N4C=CN(c5ccccc5)C4)c3)nc2-c2ccccc2O)c(C(C)C)c1
InChIInChI=1S/C39H42N4O/c1-26(2)30-22-34(27(3)4)38(35(23-30)28(5)6)43-24-36(40-39(43)33-17-10-11-18-37(33)44)29-13-12-16-32(21-29)42-20-19-41(25-42)31-14-8-7-9-15-31/h7-24,26-28,44H,25H2,1-6H3
InChIKeyCFOWUTCZXHXESV-UHFFFAOYSA-N
XLogP10.04
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.79
LogP ≤ 510.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol
CID 171438742
2-[4-[3-(3-methylindazol-1-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol
CID 162491770
2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]imidazol-2-yl]phenol;platinum(2+)
CID 162491810
2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazol-3-yl]benzene-2-id-1-yl]imidazol-2-yl]phenol;platinum
CID 162491899
2-[4-[3-[3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol;platinum(2+)
CID 162491955
2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]imidazol-2-yl]phenol;platinum(2+)
CID 162492010
2-[5-methyl-3-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]-1,2,4-triazol-1-yl]phenol
CID 162491784
2-[1-[2,6-di(propan-2-yl)phenyl]-4-(3-quinolin-2-ylbenzene-2-id-1-yl)imidazol-2-yl]phenol;platinum
CID 171420086
1-[4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-3-phenyl-2H-imidazole
CID 164783146
2-[1-phenyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol
CID 171732512
2-(6-amino-5-propan-2-ylpyridazin-3-yl)phenol
CID 137029503
2-[7-[3-[6-[3-[2-(2-hydroxyphenyl)-3-methylimidazo[4,5-c]pyridin-7-yl]phenyl]pyrimidin-4-yl]phenyl]-3-methylimidazo[4,5-c]pyridin-2-yl]phenol
CID 176622987

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3-phenyl-2H-imidazol-1-yl)phenyl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol?
The IUPAC name of 2-[4-[3-(3-phenyl-2H-imidazol-1-yl)phenyl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol (CID 162491859) is 2-[4-[3-(3-phenyl-2H-imidazol-1-yl)phenyl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol.
What is the SMILES notation for 2-[4-[3-(3-phenyl-2H-imidazol-1-yl)phenyl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol?
The canonical SMILES for 2-[4-[3-(3-phenyl-2H-imidazol-1-yl)phenyl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol is CC(C)c1cc(C(C)C)c(-n2cc(-c3cccc(N4C=CN(c5ccccc5)C4)c3)nc2-c2ccccc2O)c(C(C)C)c1.
What is the InChIKey of 2-[4-[3-(3-phenyl-2H-imidazol-1-yl)phenyl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol?
The InChIKey is CFOWUTCZXHXESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42N4O/c1-26(2)30-22-34(27(3)4)38(35(23-30)28(5)6)43-24-36(40-39(43)33-17-10-11-18-37(33)44)29-13-12-16-32(21-29)42-20-19-41(25-42)31-14-8-7-9-15-31/h7-24,26-28,44H,25H2,1-6H3.
What are the key properties of 2-[4-[3-(3-phenyl-2H-imidazol-1-yl)phenyl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol?
2-[4-[3-(3-phenyl-2H-imidazol-1-yl)phenyl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol has a molecular weight of 582.79 g/mol, XLogP of 10.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3-phenyl-2H-imidazol-1-yl)phenyl]-1-[2,4,6-tri(propan-2-yl)phenyl]imidazol-2-yl]phenol is sourced from PubChem (CID 162491859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).