4-(3-phenylimidazol-4-yl)-6-propan-2-ylbenzene-1,3-diol

C18H18N2O2 — CID 177377006

IUPAC4-(3-phenylimidazol-4-yl)-6-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1cc(-c2cncn2-c2ccccc2)c(O)cc1O
InChIInChI=1S/C18H18N2O2/c1-12(2)14-8-15(18(22)9-17(14)21)16-10-19-11-20(16)13-6-4-3-5-7-13/h3-12,21-22H,1-2H3
InChIKeyXGURIMDAOVIPCF-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.07
Rot. Bonds3

About 4-(3-phenylimidazol-4-yl)-6-propan-2-ylbenzene-1,3-diol

4-(3-phenylimidazol-4-yl)-6-propan-2-ylbenzene-1,3-diol (PubChem CID 177377006) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-(3-phenylimidazol-4-yl)-6-propan-2-ylbenzene-1,3-diol.

Molecular Properties

Compound Name4-(3-phenylimidazol-4-yl)-6-propan-2-ylbenzene-1,3-diol
PubChem CID177377006
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-(3-phenylimidazol-4-yl)-6-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1cc(-c2cncn2-c2ccccc2)c(O)cc1O
InChIInChI=1S/C18H18N2O2/c1-12(2)14-8-15(18(22)9-17(14)21)16-10-19-11-20(16)13-6-4-3-5-7-13/h3-12,21-22H,1-2H3
InChIKeyXGURIMDAOVIPCF-UHFFFAOYSA-N
XLogP4.07
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Benzylimidazol-4-yl)phenol
CID 2806275
2-Fluoro-4-(5-imidazol-1-ylmethyl-pyridin-2-yl)-phenol
CID 136008115
3-Methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 142401390
4-[2-Methyl-6-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 162644575
4-[6-(3-Propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 162647643
Isonaamine A
CID 11087724
3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[6-(dimethylamino)-3-pyridinyl]-1H-1,2,4-triazol-5-one
CID 135971807
3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-1,2,4-triazol-5-one
CID 135971825
2-{[(1-methyl-5-phenyl-1H-imidazol-2-yl)amino]methyl}phenol
CID 3519573
4-[1-(4-Hydroxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenol
CID 135502945
4-[3-(3-Hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-2,6-dimethylphenol
CID 155551291
4-[6-(2-Methoxy-5-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 162661593

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylimidazol-4-yl)-6-propan-2-ylbenzene-1,3-diol?
The IUPAC name of 4-(3-phenylimidazol-4-yl)-6-propan-2-ylbenzene-1,3-diol (CID 177377006) is 4-(3-phenylimidazol-4-yl)-6-propan-2-ylbenzene-1,3-diol.
What is the SMILES notation for 4-(3-phenylimidazol-4-yl)-6-propan-2-ylbenzene-1,3-diol?
The canonical SMILES for 4-(3-phenylimidazol-4-yl)-6-propan-2-ylbenzene-1,3-diol is CC(C)c1cc(-c2cncn2-c2ccccc2)c(O)cc1O.
What is the InChIKey of 4-(3-phenylimidazol-4-yl)-6-propan-2-ylbenzene-1,3-diol?
The InChIKey is XGURIMDAOVIPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12(2)14-8-15(18(22)9-17(14)21)16-10-19-11-20(16)13-6-4-3-5-7-13/h3-12,21-22H,1-2H3.
What are the key properties of 4-(3-phenylimidazol-4-yl)-6-propan-2-ylbenzene-1,3-diol?
4-(3-phenylimidazol-4-yl)-6-propan-2-ylbenzene-1,3-diol has a molecular weight of 294.35 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylimidazol-4-yl)-6-propan-2-ylbenzene-1,3-diol is sourced from PubChem (CID 177377006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).