2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole

C11H10ClF3N2 — CID 170150920

IUPAC2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)c1ccc(Cl)c(CC2=NCCN2)c1
InChIInChI=1S/C11H10ClF3N2/c12-9-2-1-8(11(13,14)15)5-7(9)6-10-16-3-4-17-10/h1-2,5H,3-4,6H2,(H,16,17)
InChIKeyMQBYFFVSYGVXRW-UHFFFAOYSA-N
MW262.66 g/mol
LogP2.90
Rot. Bonds2

About 2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole

2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole (PubChem CID 170150920) has the molecular formula C11H10ClF3N2 and a molecular weight of 262.66 g/mol. Its IUPAC name is 2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
PubChem CID170150920
Molecular FormulaC11H10ClF3N2
Molecular Weight262.66 g/mol
Exact Mass262.05
IUPAC Name2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)c1ccc(Cl)c(CC2=NCCN2)c1
InChIInChI=1S/C11H10ClF3N2/c12-9-2-1-8(11(13,14)15)5-7(9)6-10-16-3-4-17-10/h1-2,5H,3-4,6H2,(H,16,17)
InChIKeyMQBYFFVSYGVXRW-UHFFFAOYSA-N
XLogP2.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.66
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine
CID 148766758
1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride
CID 131739278
potassium [2-chloro-5-(trifluoromethyl)phenyl]methyl-trifluoroboranuide
CID 171374127
2-[(3-chloro-2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole
CID 69119976
[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonate
CID 59623726
[2-chloro-5-(trifluoromethyl)phenyl]methanesulfinyl chloride
CID 143805347
3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine
CID 66832871
1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidine
CID 11952114
4-[2-chloro-5-(trifluoromethyl)phenyl]butan-2-one
CID 82297621
1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperazin-2-one
CID 154734264
2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]propanedioic acid
CID 170895454
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
CID 58966457

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole (CID 170150920) is 2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole is FC(F)(F)c1ccc(Cl)c(CC2=NCCN2)c1.
What is the InChIKey of 2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is MQBYFFVSYGVXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2/c12-9-2-1-8(11(13,14)15)5-7(9)6-10-16-3-4-17-10/h1-2,5H,3-4,6H2,(H,16,17).
What are the key properties of 2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 262.66 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 170150920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).