2-[1-[[1-ethyl-4-phenyl-5-(trifluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine

C21H17F4N5 — CID 21026126

IUPAC2-[1-[[1-ethyl-4-phenyl-5-(trifluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine
SMILESCCn1c(Cn2ccnc2-c2cccc(F)n2)nc(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C21H17F4N5/c1-2-30-17(13-29-12-11-26-20(29)15-9-6-10-16(22)27-15)28-18(19(30)21(23,24)25)14-7-4-3-5-8-14/h3-12H,2,13H2,1H3
InChIKeyLGHZGMOHCONFDD-UHFFFAOYSA-N
MW415.39 g/mol
LogP5.03
Rot. Bonds5

About 2-[1-[[1-ethyl-4-phenyl-5-(trifluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine

2-[1-[[1-ethyl-4-phenyl-5-(trifluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine (PubChem CID 21026126) has the molecular formula C21H17F4N5 and a molecular weight of 415.39 g/mol. Its IUPAC name is 2-[1-[[1-ethyl-4-phenyl-5-(trifluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine.

Molecular Properties

Compound Name2-[1-[[1-ethyl-4-phenyl-5-(trifluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine
PubChem CID21026126
Molecular FormulaC21H17F4N5
Molecular Weight415.39 g/mol
Exact Mass415.14
IUPAC Name2-[1-[[1-ethyl-4-phenyl-5-(trifluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine
SMILESCCn1c(Cn2ccnc2-c2cccc(F)n2)nc(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C21H17F4N5/c1-2-30-17(13-29-12-11-26-20(29)15-9-6-10-16(22)27-15)28-18(19(30)21(23,24)25)14-7-4-3-5-8-14/h3-12H,2,13H2,1H3
InChIKeyLGHZGMOHCONFDD-UHFFFAOYSA-N
XLogP5.03
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.39
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
SB-220025
CID 5164
4-(4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridinyl)-1H-imidazol-2-yl)-3-butyn-1-ol
CID 3008319
6-(4-Fluorophenyl)-2,3-dihydro-5-(4-pyridinyl)imidazo(2,1-b)thiazole
CID 5228
PF-670462
CID 51049607
L-790070
CID 9806182
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
1-benzyl-5-phenyl-1H-imidazole
CID 10444038
VK-19911
CID 9797240
Fazadinium Bromide
CID 6321422

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-ethyl-4-phenyl-5-(trifluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine?
The IUPAC name of 2-[1-[[1-ethyl-4-phenyl-5-(trifluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine (CID 21026126) is 2-[1-[[1-ethyl-4-phenyl-5-(trifluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine.
What is the SMILES notation for 2-[1-[[1-ethyl-4-phenyl-5-(trifluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine?
The canonical SMILES for 2-[1-[[1-ethyl-4-phenyl-5-(trifluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine is CCn1c(Cn2ccnc2-c2cccc(F)n2)nc(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 2-[1-[[1-ethyl-4-phenyl-5-(trifluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine?
The InChIKey is LGHZGMOHCONFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N5/c1-2-30-17(13-29-12-11-26-20(29)15-9-6-10-16(22)27-15)28-18(19(30)21(23,24)25)14-7-4-3-5-8-14/h3-12H,2,13H2,1H3.
What are the key properties of 2-[1-[[1-ethyl-4-phenyl-5-(trifluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine?
2-[1-[[1-ethyl-4-phenyl-5-(trifluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine has a molecular weight of 415.39 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-ethyl-4-phenyl-5-(trifluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine is sourced from PubChem (CID 21026126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).