2-[(2-chloro-4-fluorophenyl)methyl]-1-methylimidazol-4-ol

C11H10ClFN2O — CID 106952388

IUPAC2-[(2-chloro-4-fluorophenyl)methyl]-1-methylimidazol-4-ol
SMILESCn1cc(O)nc1Cc1ccc(F)cc1Cl
InChIInChI=1S/C11H10ClFN2O/c1-15-6-11(16)14-10(15)4-7-2-3-8(13)5-9(7)12/h2-3,5-6,16H,4H2,1H3
InChIKeyMZQTXNPHCOREIO-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.51
Rot. Bonds2

About 2-[(2-chloro-4-fluorophenyl)methyl]-1-methylimidazol-4-ol

2-[(2-chloro-4-fluorophenyl)methyl]-1-methylimidazol-4-ol (PubChem CID 106952388) has the molecular formula C11H10ClFN2O and a molecular weight of 240.67 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methyl]-1-methylimidazol-4-ol.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methyl]-1-methylimidazol-4-ol
PubChem CID106952388
Molecular FormulaC11H10ClFN2O
Molecular Weight240.67 g/mol
Exact Mass240.05
IUPAC Name2-[(2-chloro-4-fluorophenyl)methyl]-1-methylimidazol-4-ol
SMILESCn1cc(O)nc1Cc1ccc(F)cc1Cl
InChIInChI=1S/C11H10ClFN2O/c1-15-6-11(16)14-10(15)4-7-2-3-8(13)5-9(7)12/h2-3,5-6,16H,4H2,1H3
InChIKeyMZQTXNPHCOREIO-UHFFFAOYSA-N
XLogP2.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methyl]-1-methylimidazol-4-ol
CID 106952479
4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylpyrimidine
CID 63034218
2-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63612286
1-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrazol-4-amine;hydrochloride
CID 175103248
2-(2-chloro-4-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 63035451
1-(2-chloro-4-fluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-one
CID 114529485
(2-chloro-4-fluorophenyl)methyl 1-methylpyrrole-2-carboxylate
CID 55307502
4-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-5-carboxylic acid
CID 70919695
2-(2-chloro-4-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanone
CID 63974862
2-(2-chloro-4-fluorophenyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide
CID 122146777
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-methylthiourea
CID 19343967
2-[(2-chloro-4-fluorophenyl)methylamino]-N-methylacetamide
CID 43214947

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-1-methylimidazol-4-ol?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-1-methylimidazol-4-ol (CID 106952388) is 2-[(2-chloro-4-fluorophenyl)methyl]-1-methylimidazol-4-ol.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methyl]-1-methylimidazol-4-ol?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methyl]-1-methylimidazol-4-ol is Cn1cc(O)nc1Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methyl]-1-methylimidazol-4-ol?
The InChIKey is MZQTXNPHCOREIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-15-6-11(16)14-10(15)4-7-2-3-8(13)5-9(7)12/h2-3,5-6,16H,4H2,1H3.
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methyl]-1-methylimidazol-4-ol?
2-[(2-chloro-4-fluorophenyl)methyl]-1-methylimidazol-4-ol has a molecular weight of 240.67 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methyl]-1-methylimidazol-4-ol is sourced from PubChem (CID 106952388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).