4,5-dichloro-1-[(3-chloro-2-fluorophenyl)methyl]imidazole

C10H6Cl3FN2 — CID 167943979

IUPAC4,5-dichloro-1-[(3-chloro-2-fluorophenyl)methyl]imidazole
SMILESFc1c(Cl)cccc1Cn1cnc(Cl)c1Cl
InChIInChI=1S/C10H6Cl3FN2/c11-7-3-1-2-6(8(7)14)4-16-5-15-9(12)10(16)13/h1-3,5H,4H2
InChIKeyWPPOHFIKBSVVQG-UHFFFAOYSA-N
MW279.53 g/mol
LogP4.03
Rot. Bonds2

About 4,5-dichloro-1-[(3-chloro-2-fluorophenyl)methyl]imidazole

4,5-dichloro-1-[(3-chloro-2-fluorophenyl)methyl]imidazole (PubChem CID 167943979) has the molecular formula C10H6Cl3FN2 and a molecular weight of 279.53 g/mol. Its IUPAC name is 4,5-dichloro-1-[(3-chloro-2-fluorophenyl)methyl]imidazole.

Molecular Properties

Compound Name4,5-dichloro-1-[(3-chloro-2-fluorophenyl)methyl]imidazole
PubChem CID167943979
Molecular FormulaC10H6Cl3FN2
Molecular Weight279.53 g/mol
Exact Mass277.96
IUPAC Name4,5-dichloro-1-[(3-chloro-2-fluorophenyl)methyl]imidazole
SMILESFc1c(Cl)cccc1Cn1cnc(Cl)c1Cl
InChIInChI=1S/C10H6Cl3FN2/c11-7-3-1-2-6(8(7)14)4-16-5-15-9(12)10(16)13/h1-3,5H,4H2
InChIKeyWPPOHFIKBSVVQG-UHFFFAOYSA-N
XLogP4.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.53
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dichloro-3-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-one
CID 102858179
3-[(3-chloro-2-fluorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 102858170
[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methanamine
CID 102861719
4,5-dichloro-1-(2-naphthalen-1-ylethyl)imidazole
CID 90161211
4-[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]aniline
CID 102855873
[1-[(3-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 102856709
N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 102856727
1-chloro-3-(3-chloropropyl)-2-fluorobenzene
CID 53434110
[1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine
CID 102861922
1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine
CID 102856756
1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole
CID 102861491
5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 114583259

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-[(3-chloro-2-fluorophenyl)methyl]imidazole?
The IUPAC name of 4,5-dichloro-1-[(3-chloro-2-fluorophenyl)methyl]imidazole (CID 167943979) is 4,5-dichloro-1-[(3-chloro-2-fluorophenyl)methyl]imidazole.
What is the SMILES notation for 4,5-dichloro-1-[(3-chloro-2-fluorophenyl)methyl]imidazole?
The canonical SMILES for 4,5-dichloro-1-[(3-chloro-2-fluorophenyl)methyl]imidazole is Fc1c(Cl)cccc1Cn1cnc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-1-[(3-chloro-2-fluorophenyl)methyl]imidazole?
The InChIKey is WPPOHFIKBSVVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3FN2/c11-7-3-1-2-6(8(7)14)4-16-5-15-9(12)10(16)13/h1-3,5H,4H2.
What are the key properties of 4,5-dichloro-1-[(3-chloro-2-fluorophenyl)methyl]imidazole?
4,5-dichloro-1-[(3-chloro-2-fluorophenyl)methyl]imidazole has a molecular weight of 279.53 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-[(3-chloro-2-fluorophenyl)methyl]imidazole is sourced from PubChem (CID 167943979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).