2-(chloromethyl)-1-[(3,5-difluorophenyl)methyl]imidazole

C11H9ClF2N2 — CID 105405211

IUPAC2-(chloromethyl)-1-[(3,5-difluorophenyl)methyl]imidazole
SMILESFc1cc(F)cc(Cn2ccnc2CCl)c1
InChIInChI=1S/C11H9ClF2N2/c12-6-11-15-1-2-16(11)7-8-3-9(13)5-10(14)4-8/h1-5H,6-7H2
InChIKeyWHUAVUABJJULFO-UHFFFAOYSA-N
MW242.66 g/mol
LogP2.95
Rot. Bonds3

About 2-(chloromethyl)-1-[(3,5-difluorophenyl)methyl]imidazole

2-(chloromethyl)-1-[(3,5-difluorophenyl)methyl]imidazole (PubChem CID 105405211) has the molecular formula C11H9ClF2N2 and a molecular weight of 242.66 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[(3,5-difluorophenyl)methyl]imidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-[(3,5-difluorophenyl)methyl]imidazole
PubChem CID105405211
Molecular FormulaC11H9ClF2N2
Molecular Weight242.66 g/mol
Exact Mass242.04
IUPAC Name2-(chloromethyl)-1-[(3,5-difluorophenyl)methyl]imidazole
SMILESFc1cc(F)cc(Cn2ccnc2CCl)c1
InChIInChI=1S/C11H9ClF2N2/c12-6-11-15-1-2-16(11)7-8-3-9(13)5-10(14)4-8/h1-5H,6-7H2
InChIKeyWHUAVUABJJULFO-UHFFFAOYSA-N
XLogP2.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride
CID 2779195
2-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]imidazole
CID 130657725
3-bromo-5-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine
CID 104801413
1-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)imidazole
CID 62222379
[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine
CID 62223886
2-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole
CID 22938673
N-[[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 79701330
1-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylimidazole
CID 105409270
(1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine
CID 99626012
2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole
CID 62223786
4-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82557919
2-(chloromethyl)-1-(methoxymethyl)imidazole
CID 14316830

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[(3,5-difluorophenyl)methyl]imidazole?
The IUPAC name of 2-(chloromethyl)-1-[(3,5-difluorophenyl)methyl]imidazole (CID 105405211) is 2-(chloromethyl)-1-[(3,5-difluorophenyl)methyl]imidazole.
What is the SMILES notation for 2-(chloromethyl)-1-[(3,5-difluorophenyl)methyl]imidazole?
The canonical SMILES for 2-(chloromethyl)-1-[(3,5-difluorophenyl)methyl]imidazole is Fc1cc(F)cc(Cn2ccnc2CCl)c1.
What is the InChIKey of 2-(chloromethyl)-1-[(3,5-difluorophenyl)methyl]imidazole?
The InChIKey is WHUAVUABJJULFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N2/c12-6-11-15-1-2-16(11)7-8-3-9(13)5-10(14)4-8/h1-5H,6-7H2.
What are the key properties of 2-(chloromethyl)-1-[(3,5-difluorophenyl)methyl]imidazole?
2-(chloromethyl)-1-[(3,5-difluorophenyl)methyl]imidazole has a molecular weight of 242.66 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[(3,5-difluorophenyl)methyl]imidazole is sourced from PubChem (CID 105405211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).