2-(2-chlorophenyl)-3-methylimidazol-4-ol

C10H9ClN2O — CID 19743684

IUPAC2-(2-chlorophenyl)-3-methylimidazol-4-ol
SMILESCn1c(O)cnc1-c1ccccc1Cl
InChIInChI=1S/C10H9ClN2O/c1-13-9(14)6-12-10(13)7-4-2-3-5-8(7)11/h2-6,14H,1H3
InChIKeyADGAVMYNNYDZNS-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.45
Rot. Bonds1

About 2-(2-chlorophenyl)-3-methylimidazol-4-ol

2-(2-chlorophenyl)-3-methylimidazol-4-ol (PubChem CID 19743684) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-methylimidazol-4-ol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-methylimidazol-4-ol
PubChem CID19743684
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name2-(2-chlorophenyl)-3-methylimidazol-4-ol
SMILESCn1c(O)cnc1-c1ccccc1Cl
InChIInChI=1S/C10H9ClN2O/c1-13-9(14)6-12-10(13)7-4-2-3-5-8(7)11/h2-6,14H,1H3
InChIKeyADGAVMYNNYDZNS-UHFFFAOYSA-N
XLogP2.45
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-methylimidazol-4-ol?
The IUPAC name of 2-(2-chlorophenyl)-3-methylimidazol-4-ol (CID 19743684) is 2-(2-chlorophenyl)-3-methylimidazol-4-ol.
What is the SMILES notation for 2-(2-chlorophenyl)-3-methylimidazol-4-ol?
The canonical SMILES for 2-(2-chlorophenyl)-3-methylimidazol-4-ol is Cn1c(O)cnc1-c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-methylimidazol-4-ol?
The InChIKey is ADGAVMYNNYDZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-13-9(14)6-12-10(13)7-4-2-3-5-8(7)11/h2-6,14H,1H3.
What are the key properties of 2-(2-chlorophenyl)-3-methylimidazol-4-ol?
2-(2-chlorophenyl)-3-methylimidazol-4-ol has a molecular weight of 208.65 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-methylimidazol-4-ol is sourced from PubChem (CID 19743684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).