1-(5-chloro-2-methylphenyl)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine

C16H19ClF2N4 — CID 78828337

IUPAC1-(5-chloro-2-methylphenyl)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine
SMILESCc1ccc(Cl)cc1N1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C16H19ClF2N4/c1-12-2-3-13(17)10-14(12)22-8-6-21(7-9-22)11-15-20-4-5-23(15)16(18)19/h2-5,10,16H,6-9,11H2,1H3
InChIKeyATEVFVHTAZFRBC-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.56
Rot. Bonds4

About 1-(5-chloro-2-methylphenyl)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine

1-(5-chloro-2-methylphenyl)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine (PubChem CID 78828337) has the molecular formula C16H19ClF2N4 and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine
PubChem CID78828337
Molecular FormulaC16H19ClF2N4
Molecular Weight340.81 g/mol
Exact Mass340.13
IUPAC Name1-(5-chloro-2-methylphenyl)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine
SMILESCc1ccc(Cl)cc1N1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C16H19ClF2N4/c1-12-2-3-13(17)10-14(12)22-8-6-21(7-9-22)11-15-20-4-5-23(15)16(18)19/h2-5,10,16H,6-9,11H2,1H3
InChIKeyATEVFVHTAZFRBC-UHFFFAOYSA-N
XLogP3.56
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Basimglurant
CID 11438771
4-((2-chlorobenzyl)(1-(1-methyl-1H-imidazol-2-yl)ethyl)amino)-2-chlorobenzonitrile
CID 45268950
2-Chloro-4-[1-(2,4-difluoro-phenyl)-2,5-dimethyl-1H-imidazol-4-ylethynyl]-pyridine
CID 11688761
2-chloro-6-(1H-imidazol-1-yl)benzonitrile
CID 2726190
1-(3-Chloro-phenyl)-4-(1,2-diphenyl-1H-imidazol-4-ylmethyl)-piperazine
CID 11069992
4-(4-Chlorophenyl)-2-(2-methylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 4084266
4-(4-Chloro-phenyl)-2-imidazol-1-yl-6-trifluoromethyl-pyrimidine
CID 3415095
1-(5-chloro-2-methylphenyl)-4-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperazine
CID 16029205
1-(5-chloro-2-methylphenyl)-4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperazine
CID 20958603
N-(4-Chlorobenzyl)-2-(1H-imidazol-1-ylmethyl)benzenamine
CID 124595
2-Chloro-5-[4-chloro-2-methyl-5-(2,4,6-trifluoro-phenyl)-imidazol-1-yl]-pyridine
CID 25242567
7-Chloro-4-(methylamino)-1-(1-methyl-imidazol-2-yphydroquinazolin-2-one
CID 154933660

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine (CID 78828337) is 1-(5-chloro-2-methylphenyl)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine is Cc1ccc(Cl)cc1N1CCN(Cc2nccn2C(F)F)CC1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine?
The InChIKey is ATEVFVHTAZFRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF2N4/c1-12-2-3-13(17)10-14(12)22-8-6-21(7-9-22)11-15-20-4-5-23(15)16(18)19/h2-5,10,16H,6-9,11H2,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine?
1-(5-chloro-2-methylphenyl)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine has a molecular weight of 340.81 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine is sourced from PubChem (CID 78828337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).