1-(3-fluorophenyl)-4-piperidin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine

C22H22F4N4 — CID 163368812

IUPAC1-(3-fluorophenyl)-4-piperidin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
SMILESFc1cccc(-n2cc(C3CCCNC3)nc2NCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C22H22F4N4/c23-18-4-1-5-19(11-18)30-14-20(16-3-2-10-27-13-16)29-21(30)28-12-15-6-8-17(9-7-15)22(24,25)26/h1,4-9,11,14,16,27H,2-3,10,12-13H2,(H,28,29)
InChIKeyVCXPYIWSFPKXTB-UHFFFAOYSA-N
MW418.44 g/mol
LogP5.11
Rot. Bonds5

About 1-(3-fluorophenyl)-4-piperidin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine

1-(3-fluorophenyl)-4-piperidin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine (PubChem CID 163368812) has the molecular formula C22H22F4N4 and a molecular weight of 418.44 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-piperidin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-piperidin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
PubChem CID163368812
Molecular FormulaC22H22F4N4
Molecular Weight418.44 g/mol
Exact Mass418.18
IUPAC Name1-(3-fluorophenyl)-4-piperidin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
SMILESFc1cccc(-n2cc(C3CCCNC3)nc2NCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C22H22F4N4/c23-18-4-1-5-19(11-18)30-14-20(16-3-2-10-27-13-16)29-21(30)28-12-15-6-8-17(9-7-15)22(24,25)26/h1,4-9,11,14,16,27H,2-3,10,12-13H2,(H,28,29)
InChIKeyVCXPYIWSFPKXTB-UHFFFAOYSA-N
XLogP5.11
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.44
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 110271375
(3R)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074264
(3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074262
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-1-(3-fluorophenyl)-4-phenylimidazol-2-amine
CID 163368881
N-[(3-fluorophenyl)methyl]-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126442555
N-[(3-fluorophenyl)methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119068979
3-[3,5-bis(trifluoromethyl)phenyl]piperidine
CID 45073834
N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 79740953
2-[(3-fluorophenyl)methyl]-4-phenyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-one
CID 95558060
(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81141127
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 71742225

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-piperidin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-4-piperidin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine (CID 163368812) is 1-(3-fluorophenyl)-4-piperidin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-4-piperidin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-4-piperidin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine is Fc1cccc(-n2cc(C3CCCNC3)nc2NCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-4-piperidin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
The InChIKey is VCXPYIWSFPKXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F4N4/c23-18-4-1-5-19(11-18)30-14-20(16-3-2-10-27-13-16)29-21(30)28-12-15-6-8-17(9-7-15)22(24,25)26/h1,4-9,11,14,16,27H,2-3,10,12-13H2,(H,28,29).
What are the key properties of 1-(3-fluorophenyl)-4-piperidin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
1-(3-fluorophenyl)-4-piperidin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine has a molecular weight of 418.44 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-piperidin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine is sourced from PubChem (CID 163368812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).