2-[4-(2-chloro-6-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol

C22H18ClFN4O — CID 137306785

IUPAC2-[4-(2-chloro-6-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cc(-c2c(F)cccc2Cl)cc(NCCc2cnc[nH]2)n1
InChIInChI=1S/C22H18ClFN4O/c23-17-5-3-6-18(24)22(17)14-10-19(16-4-1-2-7-20(16)29)28-21(11-14)26-9-8-15-12-25-13-27-15/h1-7,10-13,29H,8-9H2,(H,25,27)(H,26,28)
InChIKeyVXLZNTWFGMYJKX-UHFFFAOYSA-N
MW408.86 g/mol
LogP5.29
Rot. Bonds6

About 2-[4-(2-chloro-6-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol

2-[4-(2-chloro-6-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol (PubChem CID 137306785) has the molecular formula C22H18ClFN4O and a molecular weight of 408.86 g/mol. Its IUPAC name is 2-[4-(2-chloro-6-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[4-(2-chloro-6-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol
PubChem CID137306785
Molecular FormulaC22H18ClFN4O
Molecular Weight408.86 g/mol
Exact Mass408.12
IUPAC Name2-[4-(2-chloro-6-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cc(-c2c(F)cccc2Cl)cc(NCCc2cnc[nH]2)n1
InChIInChI=1S/C22H18ClFN4O/c23-17-5-3-6-18(24)22(17)14-10-19(16-4-1-2-7-20(16)29)28-21(11-14)26-9-8-15-12-25-13-27-15/h1-7,10-13,29H,8-9H2,(H,25,27)(H,26,28)
InChIKeyVXLZNTWFGMYJKX-UHFFFAOYSA-N
XLogP5.29
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.86
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-chloro-6-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol with MolForge

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Related Compounds

Sb-202190
CID 5169
4-(5-(4-chlorophenyl)-4-(pyridin-3-yl)-1H-imidazol-2-yl)phenol
CID 388623
L-779,450
CID 9950176
5-(2-(1-amino-2-methylpropan-2-yl)-5-(pyridin-4-yl)-1H-imidazol-4-yl)-2-chlorophenol
CID 22185475
5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol
CID 22185382
3-[2-Phenyl-4-(Pyridin-4-Yl)-1h-Imidazol-5-Yl]phenol
CID 10638921
1-[3-(4-hydroxyphenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 14660412
5-(2-(4-(aminomethyl)phenyl)-5-(pyridin-4-yl)-1H-imidazol-4-yl)-2-chlorophenol
CID 22185379
2-chloro-5-(2-(pyridin-3-yl)-5-(pyridin-4-yl)-1H-imidazol-4-yl)phenol
CID 44406460
4-chloro-2-fluoro-6-(1H-imidazol-5-yl)phenol
CID 58294117
4-(2-Phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-phenol
CID 135513879
5-fluoro-2-({[(3M)-3-(1H-imidazol-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452185

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-6-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol?
The IUPAC name of 2-[4-(2-chloro-6-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol (CID 137306785) is 2-[4-(2-chloro-6-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol.
What is the SMILES notation for 2-[4-(2-chloro-6-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol?
The canonical SMILES for 2-[4-(2-chloro-6-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol is Oc1ccccc1-c1cc(-c2c(F)cccc2Cl)cc(NCCc2cnc[nH]2)n1.
What is the InChIKey of 2-[4-(2-chloro-6-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol?
The InChIKey is VXLZNTWFGMYJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O/c23-17-5-3-6-18(24)22(17)14-10-19(16-4-1-2-7-20(16)29)28-21(11-14)26-9-8-15-12-25-13-27-15/h1-7,10-13,29H,8-9H2,(H,25,27)(H,26,28).
What are the key properties of 2-[4-(2-chloro-6-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol?
2-[4-(2-chloro-6-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol has a molecular weight of 408.86 g/mol, XLogP of 5.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-6-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol is sourced from PubChem (CID 137306785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).