4-[3-(2-methylphenyl)imidazol-4-yl]-6-propan-2-ylbenzene-1,3-diol

C19H20N2O2 — CID 177377007

IUPAC4-[3-(2-methylphenyl)imidazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
SMILESCc1ccccc1-n1cncc1-c1cc(C(C)C)c(O)cc1O
InChIInChI=1S/C19H20N2O2/c1-12(2)14-8-15(19(23)9-18(14)22)17-10-20-11-21(17)16-7-5-4-6-13(16)3/h4-12,22-23H,1-3H3
InChIKeyKSRSWEFWXVBSOA-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.38
Rot. Bonds3

About 4-[3-(2-methylphenyl)imidazol-4-yl]-6-propan-2-ylbenzene-1,3-diol

4-[3-(2-methylphenyl)imidazol-4-yl]-6-propan-2-ylbenzene-1,3-diol (PubChem CID 177377007) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-[3-(2-methylphenyl)imidazol-4-yl]-6-propan-2-ylbenzene-1,3-diol.

Molecular Properties

Compound Name4-[3-(2-methylphenyl)imidazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
PubChem CID177377007
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name4-[3-(2-methylphenyl)imidazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
SMILESCc1ccccc1-n1cncc1-c1cc(C(C)C)c(O)cc1O
InChIInChI=1S/C19H20N2O2/c1-12(2)14-8-15(19(23)9-18(14)22)17-10-20-11-21(17)16-7-5-4-6-13(16)3/h4-12,22-23H,1-3H3
InChIKeyKSRSWEFWXVBSOA-UHFFFAOYSA-N
XLogP4.38
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Benzylimidazol-4-yl)phenol
CID 2806275
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
Isonaamine A
CID 11087724
4-[3-(3-Hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]-2,6-dimethylphenol
CID 155551291
4-[1,2-bis(4-hydroxyphenyl)-1H-imidazol-4-yl]phenol
CID 135461018
4-[3-(Cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol
CID 861674
4-[6-Bromo-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol
CID 46937726
4-[3-(2,6-Dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol
CID 46937787
4-[3-(2,6-Dimethylanilino)-6-nitroimidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol
CID 54769178
2-[(dimethylamino)methyl]-4-[1-(2-pyridin-3-ylethyl)-1H-imidazol-2-yl]phenol
CID 136052440
4-(1,4-Diphenylimidazol-2-yl)phenol
CID 137270314

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylphenyl)imidazol-4-yl]-6-propan-2-ylbenzene-1,3-diol?
The IUPAC name of 4-[3-(2-methylphenyl)imidazol-4-yl]-6-propan-2-ylbenzene-1,3-diol (CID 177377007) is 4-[3-(2-methylphenyl)imidazol-4-yl]-6-propan-2-ylbenzene-1,3-diol.
What is the SMILES notation for 4-[3-(2-methylphenyl)imidazol-4-yl]-6-propan-2-ylbenzene-1,3-diol?
The canonical SMILES for 4-[3-(2-methylphenyl)imidazol-4-yl]-6-propan-2-ylbenzene-1,3-diol is Cc1ccccc1-n1cncc1-c1cc(C(C)C)c(O)cc1O.
What is the InChIKey of 4-[3-(2-methylphenyl)imidazol-4-yl]-6-propan-2-ylbenzene-1,3-diol?
The InChIKey is KSRSWEFWXVBSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12(2)14-8-15(19(23)9-18(14)22)17-10-20-11-21(17)16-7-5-4-6-13(16)3/h4-12,22-23H,1-3H3.
What are the key properties of 4-[3-(2-methylphenyl)imidazol-4-yl]-6-propan-2-ylbenzene-1,3-diol?
4-[3-(2-methylphenyl)imidazol-4-yl]-6-propan-2-ylbenzene-1,3-diol has a molecular weight of 308.38 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylphenyl)imidazol-4-yl]-6-propan-2-ylbenzene-1,3-diol is sourced from PubChem (CID 177377007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).