4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride

C14H16ClF2N3 — CID 90169798

IUPAC4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride
SMILESCl.Fc1ccc(-c2cnc(C3CCNCC3)[nH]2)c(F)c1
InChIInChI=1S/C14H15F2N3.ClH/c15-10-1-2-11(12(16)7-10)13-8-18-14(19-13)9-3-5-17-6-4-9;/h1-2,7-9,17H,3-6H2,(H,18,19);1H
InChIKeyNDEZFBWIZJGTJU-UHFFFAOYSA-N
MW299.75 g/mol
LogP3.24
Rot. Bonds2

About 4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride

4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride (PubChem CID 90169798) has the molecular formula C14H16ClF2N3 and a molecular weight of 299.75 g/mol. Its IUPAC name is 4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride
PubChem CID90169798
Molecular FormulaC14H16ClF2N3
Molecular Weight299.75 g/mol
Exact Mass299.10
IUPAC Name4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride
SMILESCl.Fc1ccc(-c2cnc(C3CCNCC3)[nH]2)c(F)c1
InChIInChI=1S/C14H15F2N3.ClH/c15-10-1-2-11(12(16)7-10)13-8-18-14(19-13)9-3-5-17-6-4-9;/h1-2,7-9,17H,3-6H2,(H,18,19);1H
InChIKeyNDEZFBWIZJGTJU-UHFFFAOYSA-N
XLogP3.24
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholine
CID 116881036
(3R)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-4-piperidin-4-ylmorpholine
CID 71694160
3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43651028
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
2-cyclopropyl-5-(4-fluorophenyl)-1H-imidazole
CID 90241425
4-(5-phenyl-1H-imidazol-2-yl)piperidine
CID 22615586
5-(2,4-difluorophenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole
CID 61214828
4-[5-(2-fluorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine
CID 54928276
4-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]piperidine
CID 82308947
4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride
CID 90169763
(3R)-4-(cyclopropylmethyl)-3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholine
CID 71694155

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride?
The IUPAC name of 4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride (CID 90169798) is 4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride.
What is the SMILES notation for 4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride?
The canonical SMILES for 4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride is Cl.Fc1ccc(-c2cnc(C3CCNCC3)[nH]2)c(F)c1.
What is the InChIKey of 4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride?
The InChIKey is NDEZFBWIZJGTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3.ClH/c15-10-1-2-11(12(16)7-10)13-8-18-14(19-13)9-3-5-17-6-4-9;/h1-2,7-9,17H,3-6H2,(H,18,19);1H.
What are the key properties of 4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride?
4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride has a molecular weight of 299.75 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride is sourced from PubChem (CID 90169798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).