2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]-4-(5-fluoro-2H-triazol-4-yl)pyridine

C18H14ClFN6 — CID 121460663

IUPAC2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]-4-(5-fluoro-2H-triazol-4-yl)pyridine
SMILESFc1n[nH]nc1-c1ccnc(-c2cn(CCc3ccc(Cl)cc3)cn2)c1
InChIInChI=1S/C18H14ClFN6/c19-14-3-1-12(2-4-14)6-8-26-10-16(22-11-26)15-9-13(5-7-21-15)17-18(20)24-25-23-17/h1-5,7,9-11H,6,8H2,(H,23,24,25)
InChIKeyPGDMAZFMRIIFJG-UHFFFAOYSA-N
MW368.80 g/mol
LogP3.77
Rot. Bonds5

About 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]-4-(5-fluoro-2H-triazol-4-yl)pyridine

2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]-4-(5-fluoro-2H-triazol-4-yl)pyridine (PubChem CID 121460663) has the molecular formula C18H14ClFN6 and a molecular weight of 368.80 g/mol. Its IUPAC name is 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]-4-(5-fluoro-2H-triazol-4-yl)pyridine.

Molecular Properties

Compound Name2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]-4-(5-fluoro-2H-triazol-4-yl)pyridine
PubChem CID121460663
Molecular FormulaC18H14ClFN6
Molecular Weight368.80 g/mol
Exact Mass368.10
IUPAC Name2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]-4-(5-fluoro-2H-triazol-4-yl)pyridine
SMILESFc1n[nH]nc1-c1ccnc(-c2cn(CCc3ccc(Cl)cc3)cn2)c1
InChIInChI=1S/C18H14ClFN6/c19-14-3-1-12(2-4-14)6-8-26-10-16(22-11-26)15-9-13(5-7-21-15)17-18(20)24-25-23-17/h1-5,7,9-11H,6,8H2,(H,23,24,25)
InChIKeyPGDMAZFMRIIFJG-UHFFFAOYSA-N
XLogP3.77
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Chlorophenyl)imidazo(1,2-a)pyridine
CID 745769
1-(4-Chlorobenzyl)-5-phenyl-1H-imidazole
CID 45103809
3-(3-Chlorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}propan-1-Amine
CID 118656319
4-Chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine
CID 164625671
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(1-(2-phenylpropan-2-yl)-1H-imidazol-4-yl)-1H-pyrazole
CID 11755189
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine
CID 4302692
1-(4-Chlorobenzylideneamino)-4-phenyl-1H-imidazol-2-amine
CID 21578791
2-(4-Chlorophenyl)imidazo[1,2-a]pyrimidine
CID 697292
4-(4-chlorophenyl)-1H-imidazole-1,2-diamine
CID 1478838
4-[5-(4-Fluorophenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridine
CID 10066478
5-[(4-Chlorophenyl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine
CID 10449754
3-[Bis-(4-chloro-phenyl)-imidazol-1-yl-methyl]-1H-pyrazole
CID 13669912

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]-4-(5-fluoro-2H-triazol-4-yl)pyridine?
The IUPAC name of 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]-4-(5-fluoro-2H-triazol-4-yl)pyridine (CID 121460663) is 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]-4-(5-fluoro-2H-triazol-4-yl)pyridine.
What is the SMILES notation for 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]-4-(5-fluoro-2H-triazol-4-yl)pyridine?
The canonical SMILES for 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]-4-(5-fluoro-2H-triazol-4-yl)pyridine is Fc1n[nH]nc1-c1ccnc(-c2cn(CCc3ccc(Cl)cc3)cn2)c1.
What is the InChIKey of 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]-4-(5-fluoro-2H-triazol-4-yl)pyridine?
The InChIKey is PGDMAZFMRIIFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN6/c19-14-3-1-12(2-4-14)6-8-26-10-16(22-11-26)15-9-13(5-7-21-15)17-18(20)24-25-23-17/h1-5,7,9-11H,6,8H2,(H,23,24,25).
What are the key properties of 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]-4-(5-fluoro-2H-triazol-4-yl)pyridine?
2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]-4-(5-fluoro-2H-triazol-4-yl)pyridine has a molecular weight of 368.80 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]-4-(5-fluoro-2H-triazol-4-yl)pyridine is sourced from PubChem (CID 121460663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).