5-chloro-2-[[4-(difluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-3-fluoropyridine

C17H10ClF6N3 — CID 171842708

IUPAC5-chloro-2-[[4-(difluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-3-fluoropyridine
SMILESFc1cc(Cl)cnc1Cn1cc(C(F)F)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H10ClF6N3/c18-11-5-12(19)13(25-6-11)7-27-8-14(15(20)21)26-16(27)9-1-3-10(4-2-9)17(22,23)24/h1-6,8,15H,7H2
InChIKeyREJUUXVVTQIUGZ-UHFFFAOYSA-N
MW405.73 g/mol
LogP5.74
Rot. Bonds4

About 5-chloro-2-[[4-(difluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-3-fluoropyridine

5-chloro-2-[[4-(difluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-3-fluoropyridine (PubChem CID 171842708) has the molecular formula C17H10ClF6N3 and a molecular weight of 405.73 g/mol. Its IUPAC name is 5-chloro-2-[[4-(difluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-3-fluoropyridine.

Molecular Properties

Compound Name5-chloro-2-[[4-(difluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-3-fluoropyridine
PubChem CID171842708
Molecular FormulaC17H10ClF6N3
Molecular Weight405.73 g/mol
Exact Mass405.05
IUPAC Name5-chloro-2-[[4-(difluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-3-fluoropyridine
SMILESFc1cc(Cl)cnc1Cn1cc(C(F)F)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H10ClF6N3/c18-11-5-12(19)13(25-6-11)7-27-8-14(15(20)21)26-16(27)9-1-3-10(4-2-9)17(22,23)24/h1-6,8,15H,7H2
InChIKeyREJUUXVVTQIUGZ-UHFFFAOYSA-N
XLogP5.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.73
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-[[4-(difluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-3-fluoropyridine with MolForge

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Related Compounds

5-chloro-2-[[2-(5-chlorothiophen-2-yl)-4-iodoimidazol-1-yl]methyl]-3-fluoropyridine
CID 174302167
5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 177117758
2,5-dichloro-3-[4-(trifluoromethyl)phenyl]pyridine
CID 119007781
2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134629724
1-methyl-3-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-1,2,4-triazole
CID 171500959
2-[[4-bromo-2-(4-chlorophenyl)imidazol-1-yl]methyl]-5-chloropyrimidine
CID 177117735
2-chloro-6-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 119003399
5-chloro-2-[[3-(difluoromethyl)-5-(3,4-difluorophenyl)pyrazol-1-yl]methyl]pyrimidine
CID 177188518
6-chloro-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 82337728
4-(difluoromethyl)-2-iodo-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 57468610
2-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 130094479
3-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol
CID 82560734

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[4-(difluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-3-fluoropyridine?
The IUPAC name of 5-chloro-2-[[4-(difluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-3-fluoropyridine (CID 171842708) is 5-chloro-2-[[4-(difluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-3-fluoropyridine.
What is the SMILES notation for 5-chloro-2-[[4-(difluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-3-fluoropyridine?
The canonical SMILES for 5-chloro-2-[[4-(difluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-3-fluoropyridine is Fc1cc(Cl)cnc1Cn1cc(C(F)F)nc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-chloro-2-[[4-(difluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-3-fluoropyridine?
The InChIKey is REJUUXVVTQIUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF6N3/c18-11-5-12(19)13(25-6-11)7-27-8-14(15(20)21)26-16(27)9-1-3-10(4-2-9)17(22,23)24/h1-6,8,15H,7H2.
What are the key properties of 5-chloro-2-[[4-(difluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-3-fluoropyridine?
5-chloro-2-[[4-(difluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-3-fluoropyridine has a molecular weight of 405.73 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[4-(difluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-3-fluoropyridine is sourced from PubChem (CID 171842708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).