4-(2-chloro-5-propan-2-yl-1H-imidazol-4-yl)phenol

C12H13ClN2O — CID 105498441

IUPAC4-(2-chloro-5-propan-2-yl-1H-imidazol-4-yl)phenol
SMILESCC(C)c1[nH]c(Cl)nc1-c1ccc(O)cc1
InChIInChI=1S/C12H13ClN2O/c1-7(2)10-11(15-12(13)14-10)8-3-5-9(16)6-4-8/h3-7,16H,1-2H3,(H,14,15)
InChIKeyJHAHKWMOTHLFEA-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.56
Rot. Bonds2

About 4-(2-chloro-5-propan-2-yl-1H-imidazol-4-yl)phenol

4-(2-chloro-5-propan-2-yl-1H-imidazol-4-yl)phenol (PubChem CID 105498441) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 4-(2-chloro-5-propan-2-yl-1H-imidazol-4-yl)phenol.

Molecular Properties

Compound Name4-(2-chloro-5-propan-2-yl-1H-imidazol-4-yl)phenol
PubChem CID105498441
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name4-(2-chloro-5-propan-2-yl-1H-imidazol-4-yl)phenol
SMILESCC(C)c1[nH]c(Cl)nc1-c1ccc(O)cc1
InChIInChI=1S/C12H13ClN2O/c1-7(2)10-11(15-12(13)14-10)8-3-5-9(16)6-4-8/h3-7,16H,1-2H3,(H,14,15)
InChIKeyJHAHKWMOTHLFEA-UHFFFAOYSA-N
XLogP3.56
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-propan-2-yl-1H-imidazol-4-yl)phenol?
The IUPAC name of 4-(2-chloro-5-propan-2-yl-1H-imidazol-4-yl)phenol (CID 105498441) is 4-(2-chloro-5-propan-2-yl-1H-imidazol-4-yl)phenol.
What is the SMILES notation for 4-(2-chloro-5-propan-2-yl-1H-imidazol-4-yl)phenol?
The canonical SMILES for 4-(2-chloro-5-propan-2-yl-1H-imidazol-4-yl)phenol is CC(C)c1[nH]c(Cl)nc1-c1ccc(O)cc1.
What is the InChIKey of 4-(2-chloro-5-propan-2-yl-1H-imidazol-4-yl)phenol?
The InChIKey is JHAHKWMOTHLFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-7(2)10-11(15-12(13)14-10)8-3-5-9(16)6-4-8/h3-7,16H,1-2H3,(H,14,15).
What are the key properties of 4-(2-chloro-5-propan-2-yl-1H-imidazol-4-yl)phenol?
4-(2-chloro-5-propan-2-yl-1H-imidazol-4-yl)phenol has a molecular weight of 236.70 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-propan-2-yl-1H-imidazol-4-yl)phenol is sourced from PubChem (CID 105498441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).