4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride

C15H17Cl3F3N3 — CID 90169763

IUPAC4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1cc(-c2cnc(C3CCNCC3)[nH]2)ccc1Cl
InChIInChI=1S/C15H15ClF3N3.2ClH/c16-12-2-1-10(7-11(12)15(17,18)19)13-8-21-14(22-13)9-3-5-20-6-4-9;;/h1-2,7-9,20H,3-6H2,(H,21,22);2*1H
InChIKeyLRCFKXGCPFPTRV-UHFFFAOYSA-N
MW402.68 g/mol
LogP5.06
Rot. Bonds2

About 4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride

4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride (PubChem CID 90169763) has the molecular formula C15H17Cl3F3N3 and a molecular weight of 402.68 g/mol. Its IUPAC name is 4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride.

Molecular Properties

Compound Name4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride
PubChem CID90169763
Molecular FormulaC15H17Cl3F3N3
Molecular Weight402.68 g/mol
Exact Mass401.04
IUPAC Name4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1cc(-c2cnc(C3CCNCC3)[nH]2)ccc1Cl
InChIInChI=1S/C15H15ClF3N3.2ClH/c16-12-2-1-10(7-11(12)15(17,18)19)13-8-21-14(22-13)9-3-5-20-6-4-9;;/h1-2,7-9,20H,3-6H2,(H,21,22);2*1H
InChIKeyLRCFKXGCPFPTRV-UHFFFAOYSA-N
XLogP5.06
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.68
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride
CID 71742558
4-[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine
CID 66649801
4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1-[4-(2-piperidin-4-yl-1H-imidazol-5-yl)-2-(trifluoromethyl)phenyl]piperidine
CID 134836577
4-[4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride
CID 90169604
4-(5-phenyl-1H-imidazol-2-yl)piperidine
CID 22615586
4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43650774
3-(2-piperidin-4-yl-1H-imidazol-5-yl)benzonitrile;dihydrochloride
CID 141220521
4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]piperidine
CID 95474427
4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride
CID 90169798
2-cyclopropyl-5-(4-fluorophenyl)-1H-imidazole
CID 90241425
1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
CID 118805005
2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]azepane
CID 64570784

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride?
The IUPAC name of 4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride (CID 90169763) is 4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride.
What is the SMILES notation for 4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride?
The canonical SMILES for 4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride is Cl.Cl.FC(F)(F)c1cc(-c2cnc(C3CCNCC3)[nH]2)ccc1Cl.
What is the InChIKey of 4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride?
The InChIKey is LRCFKXGCPFPTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3.2ClH/c16-12-2-1-10(7-11(12)15(17,18)19)13-8-21-14(22-13)9-3-5-20-6-4-9;;/h1-2,7-9,20H,3-6H2,(H,21,22);2*1H.
What are the key properties of 4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride?
4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride has a molecular weight of 402.68 g/mol, XLogP of 5.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride is sourced from PubChem (CID 90169763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).