1-[4-(chloromethyl)-2,6-difluorophenyl]imidazole

C10H7ClF2N2 — CID 63077070

IUPAC1-[4-(chloromethyl)-2,6-difluorophenyl]imidazole
SMILESFc1cc(CCl)cc(F)c1-n1ccnc1
InChIInChI=1S/C10H7ClF2N2/c11-5-7-3-8(12)10(9(13)4-7)15-2-1-14-6-15/h1-4,6H,5H2
InChIKeyBPCSUVXTHDEUAT-UHFFFAOYSA-N
MW228.63 g/mol
LogP2.89
Rot. Bonds2

About 1-[4-(chloromethyl)-2,6-difluorophenyl]imidazole

1-[4-(chloromethyl)-2,6-difluorophenyl]imidazole (PubChem CID 63077070) has the molecular formula C10H7ClF2N2 and a molecular weight of 228.63 g/mol. Its IUPAC name is 1-[4-(chloromethyl)-2,6-difluorophenyl]imidazole.

Molecular Properties

Compound Name1-[4-(chloromethyl)-2,6-difluorophenyl]imidazole
PubChem CID63077070
Molecular FormulaC10H7ClF2N2
Molecular Weight228.63 g/mol
Exact Mass228.03
IUPAC Name1-[4-(chloromethyl)-2,6-difluorophenyl]imidazole
SMILESFc1cc(CCl)cc(F)c1-n1ccnc1
InChIInChI=1S/C10H7ClF2N2/c11-5-7-3-8(12)10(9(13)4-7)15-2-1-14-6-15/h1-4,6H,5H2
InChIKeyBPCSUVXTHDEUAT-UHFFFAOYSA-N
XLogP2.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 52.89
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

1-(3,5-difluoro-4-imidazol-1-ylphenyl)-N-methylmethanamine
CID 63076477
3,5-difluoro-4-imidazol-1-ylbenzoic acid
CID 63078087
1-[4-(chloromethyl)-2,6-difluorophenyl]-1,2,4-triazole
CID 63077069
3-chloro-5-(chloromethyl)-2-imidazol-1-ylpyridine
CID 61257448
5-(chloromethyl)-2-imidazol-1-ylpyridine;hydrochloride
CID 50988462
O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine
CID 117295563
O-methyl N-[[1-(3,5-difluoro-4-imidazol-1-ylphenyl)triazol-4-yl]methyl]carbamothioate
CID 11484897
2-(chloromethyl)-4-imidazol-1-ylpyridine
CID 61257830
1-[2-fluoro-4-(isocyanatomethyl)phenyl]imidazole
CID 117308930
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine
CID 47406236
3-(fluoromethyl)-5-imidazol-1-ylaniline
CID 118516408
1-[5-bromo-2-(chloromethyl)phenyl]imidazole
CID 43174120

Frequently Asked Questions

What is the IUPAC name of 1-[4-(chloromethyl)-2,6-difluorophenyl]imidazole?
The IUPAC name of 1-[4-(chloromethyl)-2,6-difluorophenyl]imidazole (CID 63077070) is 1-[4-(chloromethyl)-2,6-difluorophenyl]imidazole.
What is the SMILES notation for 1-[4-(chloromethyl)-2,6-difluorophenyl]imidazole?
The canonical SMILES for 1-[4-(chloromethyl)-2,6-difluorophenyl]imidazole is Fc1cc(CCl)cc(F)c1-n1ccnc1.
What is the InChIKey of 1-[4-(chloromethyl)-2,6-difluorophenyl]imidazole?
The InChIKey is BPCSUVXTHDEUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2/c11-5-7-3-8(12)10(9(13)4-7)15-2-1-14-6-15/h1-4,6H,5H2.
What are the key properties of 1-[4-(chloromethyl)-2,6-difluorophenyl]imidazole?
1-[4-(chloromethyl)-2,6-difluorophenyl]imidazole has a molecular weight of 228.63 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(chloromethyl)-2,6-difluorophenyl]imidazole is sourced from PubChem (CID 63077070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).