1-[(2-chloro-6-fluorophenyl)methyl]-2-thiophen-2-ylimidazole

C14H10ClFN2S — CID 115917911

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-2-thiophen-2-ylimidazole
SMILESFc1cccc(Cl)c1Cn1ccnc1-c1cccs1
InChIInChI=1S/C14H10ClFN2S/c15-11-3-1-4-12(16)10(11)9-18-7-6-17-14(18)13-5-2-8-19-13/h1-8H,9H2
InChIKeyQUNGCMRZRDYLPE-UHFFFAOYSA-N
MW292.77 g/mol
LogP4.45
Rot. Bonds3

About 1-[(2-chloro-6-fluorophenyl)methyl]-2-thiophen-2-ylimidazole

1-[(2-chloro-6-fluorophenyl)methyl]-2-thiophen-2-ylimidazole (PubChem CID 115917911) has the molecular formula C14H10ClFN2S and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-2-thiophen-2-ylimidazole.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-2-thiophen-2-ylimidazole
PubChem CID115917911
Molecular FormulaC14H10ClFN2S
Molecular Weight292.77 g/mol
Exact Mass292.02
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-2-thiophen-2-ylimidazole
SMILESFc1cccc(Cl)c1Cn1ccnc1-c1cccs1
InChIInChI=1S/C14H10ClFN2S/c15-11-3-1-4-12(16)10(11)9-18-7-6-17-14(18)13-5-2-8-19-13/h1-8H,9H2
InChIKeyQUNGCMRZRDYLPE-UHFFFAOYSA-N
XLogP4.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]aniline
CID 63330992
1-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 115917901
1-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylimidazole
CID 105409270
1-[(2-chloro-4-methylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 106869997
3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazin-2-one
CID 114561600
1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 116621535
1-[(3-methylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 113353800
3-fluoro-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]aniline
CID 112646317
N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]phenyl]acetamide
CID 82559472
1-(6-chlorohexyl)-2-thiophen-2-ylimidazole
CID 55053624
2-[(3-bromophenyl)methyl]-1-[(2-chloro-6-fluorophenyl)methyl]imidazole
CID 82561893
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-methyl-5-thiophen-2-yl-1,2,4-triazole
CID 662645

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-2-thiophen-2-ylimidazole?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-2-thiophen-2-ylimidazole (CID 115917911) is 1-[(2-chloro-6-fluorophenyl)methyl]-2-thiophen-2-ylimidazole.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-2-thiophen-2-ylimidazole?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-2-thiophen-2-ylimidazole is Fc1cccc(Cl)c1Cn1ccnc1-c1cccs1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-2-thiophen-2-ylimidazole?
The InChIKey is QUNGCMRZRDYLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2S/c15-11-3-1-4-12(16)10(11)9-18-7-6-17-14(18)13-5-2-8-19-13/h1-8H,9H2.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-2-thiophen-2-ylimidazole?
1-[(2-chloro-6-fluorophenyl)methyl]-2-thiophen-2-ylimidazole has a molecular weight of 292.77 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-2-thiophen-2-ylimidazole is sourced from PubChem (CID 115917911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).