[5-chloro-6-[4-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol

C26H23ClF3N5O — CID 11642047

IUPAC[5-chloro-6-[4-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol
SMILESOCc1cnc(N2CCN(c3nc(-c4ccccc4)c(-c4ccc(C(F)(F)F)cc4)[nH]3)CC2)c(Cl)c1
InChIInChI=1S/C26H23ClF3N5O/c27-21-14-17(16-36)15-31-24(21)34-10-12-35(13-11-34)25-32-22(18-4-2-1-3-5-18)23(33-25)19-6-8-20(9-7-19)26(28,29)30/h1-9,14-15,36H,10-13,16H2,(H,32,33)
InChIKeyAMCYXPADENABGR-UHFFFAOYSA-N
MW513.95 g/mol
LogP5.63
Rot. Bonds5

About [5-chloro-6-[4-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol

[5-chloro-6-[4-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol (PubChem CID 11642047) has the molecular formula C26H23ClF3N5O and a molecular weight of 513.95 g/mol. Its IUPAC name is [5-chloro-6-[4-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-6-[4-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol
PubChem CID11642047
Molecular FormulaC26H23ClF3N5O
Molecular Weight513.95 g/mol
Exact Mass513.15
IUPAC Name[5-chloro-6-[4-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol
SMILESOCc1cnc(N2CCN(c3nc(-c4ccccc4)c(-c4ccc(C(F)(F)F)cc4)[nH]3)CC2)c(Cl)c1
InChIInChI=1S/C26H23ClF3N5O/c27-21-14-17(16-36)15-31-24(21)34-10-12-35(13-11-34)25-32-22(18-4-2-1-3-5-18)23(33-25)19-6-8-20(9-7-19)26(28,29)30/h1-9,14-15,36H,10-13,16H2,(H,32,33)
InChIKeyAMCYXPADENABGR-UHFFFAOYSA-N
XLogP5.63
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.95
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-(5-Chloro-6-(3-methyl-4-(4-(4-(trifluoromethyl)phenyl)-5-(3,4,5-trifluorophenyl)-1H-imidazol-2-yl)piperazin-1-yl)pyridin-3-yl)methanol
CID 11534383
(R)-(5-chloro-6-(4-(4-(dibenzylamino)-6-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl)-3-methylpiperazin-1-yl)pyridin-3-yl)-methanol
CID 11549037
(R)-1-(5-chloro-6-((R)-3-methyl-4-(6-(trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1H-benzo[d]imidazol-2-yl)piperazin-1-yl)pyridin-3-yl)ethanol
CID 11628367
(5-chloro-6-(4-(6-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl)piperazin-1-yl)pyridin-3-yl)methanol
CID 11502467
(R)-(6-(4-(4-(benzylamino)-6-(trifluoromethyl)-1H-benzo[d]-imidazol-2-yl)-3-methylpiperazin-1-yl)-5-chloropyridin-3-yl)-methanol
CID 11548261
(R)-(5-chloro-6-(3-methyl-4-(4-phenyl-5-(4-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)piperazin-1-yl)pyridin-3-yl)methanol
CID 11606178
(S)-1-(5-chloro-6-((R)-3-methyl-4-(6-(trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1H-benzo[d]imidazol-2-yl)piperazin-1-yl)pyridin-3-yl)ethanol
CID 11692652
1-{5-Chloro-6-[4-(6-trifluoromethyl-1H-benzoimidazol-2-yl)-piperazin-1-yl]-pyridin-3-yl}-ethanol
CID 11718833
(2-chloro-4-(2-phenyl-5-(pyridin-4-yl)-1H-imidazol-4-yl)phenyl)methanol
CID 44406599
1-[5-chloro-6-[(3R)-3-methyl-4-[4-pyridin-3-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridin-3-yl]ethanol
CID 9984056
2-{5-Chloro-6-[(3R)-3-methyl-4-(5-trifluoromethyl-1H-benzoimidazol-2-yl)-piperazin-1-yl]-pyridin-3-yl}-propan-2-ol
CID 10072636
(2-{4-[7-Chloro-5-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl}pyridin-3-yl)methanol
CID 10409388

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[4-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol?
The IUPAC name of [5-chloro-6-[4-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol (CID 11642047) is [5-chloro-6-[4-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-6-[4-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol?
The canonical SMILES for [5-chloro-6-[4-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol is OCc1cnc(N2CCN(c3nc(-c4ccccc4)c(-c4ccc(C(F)(F)F)cc4)[nH]3)CC2)c(Cl)c1.
What is the InChIKey of [5-chloro-6-[4-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol?
The InChIKey is AMCYXPADENABGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF3N5O/c27-21-14-17(16-36)15-31-24(21)34-10-12-35(13-11-34)25-32-22(18-4-2-1-3-5-18)23(33-25)19-6-8-20(9-7-19)26(28,29)30/h1-9,14-15,36H,10-13,16H2,(H,32,33).
What are the key properties of [5-chloro-6-[4-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol?
[5-chloro-6-[4-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol has a molecular weight of 513.95 g/mol, XLogP of 5.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[4-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 11642047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).