(2-imidazol-1-yl-5-propan-2-ylphenyl)methanol;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol

C27H34N4O2 — CID 160972959

IUPAC(2-imidazol-1-yl-5-propan-2-ylphenyl)methanol;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol
SMILESCC(C)c1ccc(-n2ccnc2)c(CO)c1.Cc1cn(-c2ccc(C(C)C)cc2CO)cn1
InChIInChI=1S/C14H18N2O.C13H16N2O/c1-10(2)12-4-5-14(13(6-12)8-17)16-7-11(3)15-9-16;1-10(2)11-3-4-13(12(7-11)8-16)15-6-5-14-9-15/h4-7,9-10,17H,8H2,1-3H3;3-7,9-10,16H,8H2,1-2H3
InChIKeySYMOTAALGIPRIJ-UHFFFAOYSA-N
MW446.60 g/mol
LogP5.28
Rot. Bonds6

About (2-imidazol-1-yl-5-propan-2-ylphenyl)methanol;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol

(2-imidazol-1-yl-5-propan-2-ylphenyl)methanol;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol (PubChem CID 160972959) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is (2-imidazol-1-yl-5-propan-2-ylphenyl)methanol;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol.

Molecular Properties

Compound Name(2-imidazol-1-yl-5-propan-2-ylphenyl)methanol;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol
PubChem CID160972959
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name(2-imidazol-1-yl-5-propan-2-ylphenyl)methanol;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol
SMILESCC(C)c1ccc(-n2ccnc2)c(CO)c1.Cc1cn(-c2ccc(C(C)C)cc2CO)cn1
InChIInChI=1S/C14H18N2O.C13H16N2O/c1-10(2)12-4-5-14(13(6-12)8-17)16-7-11(3)15-9-16;1-10(2)11-3-4-13(12(7-11)8-16)15-6-5-14-9-15/h4-7,9-10,17H,8H2,1-3H3;3-7,9-10,16H,8H2,1-2H3
InChIKeySYMOTAALGIPRIJ-UHFFFAOYSA-N
XLogP5.28
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methylimidazol-1-yl)-5-(2-methylpropyl)phenyl]methanol
CID 58217761
1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;methane;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole
CID 161202949
4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole
CID 59502215
1-(2-methoxy-4-propan-2-ylphenyl)imidazole
CID 59583786
[2-(5-chloro-4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine
CID 158423453
2-(3-chloro-4-imidazol-1-ylphenyl)propan-1-ol
CID 117345846
(4-imidazol-1-yl-3-methylphenyl)methanol
CID 62122421
[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methanol
CID 91758264
[5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]-2-(4-methylimidazol-1-yl)phenyl]methanol
CID 58449879
1-(4-chloro-2-ethylphenyl)-4-methylimidazole
CID 146396670
5,8-di(imidazol-1-yl)quinoxaline
CID 132507181
3-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine
CID 90775297

Frequently Asked Questions

What is the IUPAC name of (2-imidazol-1-yl-5-propan-2-ylphenyl)methanol;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol?
The IUPAC name of (2-imidazol-1-yl-5-propan-2-ylphenyl)methanol;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol (CID 160972959) is (2-imidazol-1-yl-5-propan-2-ylphenyl)methanol;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol.
What is the SMILES notation for (2-imidazol-1-yl-5-propan-2-ylphenyl)methanol;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol?
The canonical SMILES for (2-imidazol-1-yl-5-propan-2-ylphenyl)methanol;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol is CC(C)c1ccc(-n2ccnc2)c(CO)c1.Cc1cn(-c2ccc(C(C)C)cc2CO)cn1.
What is the InChIKey of (2-imidazol-1-yl-5-propan-2-ylphenyl)methanol;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol?
The InChIKey is SYMOTAALGIPRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C13H16N2O/c1-10(2)12-4-5-14(13(6-12)8-17)16-7-11(3)15-9-16;1-10(2)11-3-4-13(12(7-11)8-16)15-6-5-14-9-15/h4-7,9-10,17H,8H2,1-3H3;3-7,9-10,16H,8H2,1-2H3.
What are the key properties of (2-imidazol-1-yl-5-propan-2-ylphenyl)methanol;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol?
(2-imidazol-1-yl-5-propan-2-ylphenyl)methanol;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol has a molecular weight of 446.60 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-imidazol-1-yl-5-propan-2-ylphenyl)methanol;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol is sourced from PubChem (CID 160972959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).