phenyl-(1-propan-2-ylimidazol-2-yl)methanol

C13H16N2O — CID 83392922

IUPACphenyl-(1-propan-2-ylimidazol-2-yl)methanol
SMILESCC(C)n1ccnc1C(O)c1ccccc1
InChIInChI=1S/C13H16N2O/c1-10(2)15-9-8-14-13(15)12(16)11-6-4-3-5-7-11/h3-10,12,16H,1-2H3
InChIKeyQQSALYXMEXNHIM-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.55
Rot. Bonds3

About phenyl-(1-propan-2-ylimidazol-2-yl)methanol

phenyl-(1-propan-2-ylimidazol-2-yl)methanol (PubChem CID 83392922) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is phenyl-(1-propan-2-ylimidazol-2-yl)methanol.

Molecular Properties

Compound Namephenyl-(1-propan-2-ylimidazol-2-yl)methanol
PubChem CID83392922
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Namephenyl-(1-propan-2-ylimidazol-2-yl)methanol
SMILESCC(C)n1ccnc1C(O)c1ccccc1
InChIInChI=1S/C13H16N2O/c1-10(2)15-9-8-14-13(15)12(16)11-6-4-3-5-7-11/h3-10,12,16H,1-2H3
InChIKeyQQSALYXMEXNHIM-UHFFFAOYSA-N
XLogP2.55
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-propan-2-ylimidazole
CID 12997870
(S)-[1-[(4-methylphenyl)methyl]imidazol-2-yl]-phenylmethanol
CID 97307465
3-[2-[(3-chlorophenyl)-hydroxymethyl]imidazol-1-yl]butanoic acid
CID 174401931
2-(1-chloroethyl)-1-propan-2-ylimidazole
CID 71632944
2-methyl-1-[(1R)-1-phenylethyl]imidazole
CID 76960079
(S)-[1-(cyclobutylmethyl)imidazol-2-yl]-phenylmethanol
CID 99700063
[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-yl]-phenylmethanol
CID 86817089
phenyl-[1-(thiophen-2-ylmethyl)imidazol-2-yl]methanol
CID 167786618
(R)-phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol
CID 799402
(1-methyl-1,2,4-triazol-3-yl)-phenylmethanol
CID 59330649
(R)-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]-phenylmethanol
CID 99823177
(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol
CID 26722436

Frequently Asked Questions

What is the IUPAC name of phenyl-(1-propan-2-ylimidazol-2-yl)methanol?
The IUPAC name of phenyl-(1-propan-2-ylimidazol-2-yl)methanol (CID 83392922) is phenyl-(1-propan-2-ylimidazol-2-yl)methanol.
What is the SMILES notation for phenyl-(1-propan-2-ylimidazol-2-yl)methanol?
The canonical SMILES for phenyl-(1-propan-2-ylimidazol-2-yl)methanol is CC(C)n1ccnc1C(O)c1ccccc1.
What is the InChIKey of phenyl-(1-propan-2-ylimidazol-2-yl)methanol?
The InChIKey is QQSALYXMEXNHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10(2)15-9-8-14-13(15)12(16)11-6-4-3-5-7-11/h3-10,12,16H,1-2H3.
What are the key properties of phenyl-(1-propan-2-ylimidazol-2-yl)methanol?
phenyl-(1-propan-2-ylimidazol-2-yl)methanol has a molecular weight of 216.28 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(1-propan-2-ylimidazol-2-yl)methanol is sourced from PubChem (CID 83392922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).