4-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-1-pentan-3-ylimidazo[4,5-c]pyridine

C20H21ClF3N3 — CID 18001622

IUPAC4-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-1-pentan-3-ylimidazo[4,5-c]pyridine
SMILESCCc1nc2c(-c3ccc(C(F)(F)F)cc3Cl)nccc2n1C(CC)CC
InChIInChI=1S/C20H21ClF3N3/c1-4-13(5-2)27-16-9-10-25-18(19(16)26-17(27)6-3)14-8-7-12(11-15(14)21)20(22,23)24/h7-11,13H,4-6H2,1-3H3
InChIKeyJIOAMLXSOPAXFI-UHFFFAOYSA-N
MW395.86 g/mol
LogP6.69
Rot. Bonds5

About 4-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-1-pentan-3-ylimidazo[4,5-c]pyridine

4-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-1-pentan-3-ylimidazo[4,5-c]pyridine (PubChem CID 18001622) has the molecular formula C20H21ClF3N3 and a molecular weight of 395.86 g/mol. Its IUPAC name is 4-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-1-pentan-3-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-1-pentan-3-ylimidazo[4,5-c]pyridine
PubChem CID18001622
Molecular FormulaC20H21ClF3N3
Molecular Weight395.86 g/mol
Exact Mass395.14
IUPAC Name4-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-1-pentan-3-ylimidazo[4,5-c]pyridine
SMILESCCc1nc2c(-c3ccc(C(F)(F)F)cc3Cl)nccc2n1C(CC)CC
InChIInChI=1S/C20H21ClF3N3/c1-4-13(5-2)27-16-9-10-25-18(19(16)26-17(27)6-3)14-8-7-12(11-15(14)21)20(22,23)24/h7-11,13H,4-6H2,1-3H3
InChIKeyJIOAMLXSOPAXFI-UHFFFAOYSA-N
XLogP6.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.86
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-1-pentan-3-ylimidazo[4,5-c]pyridine?
The IUPAC name of 4-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-1-pentan-3-ylimidazo[4,5-c]pyridine (CID 18001622) is 4-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-1-pentan-3-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 4-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-1-pentan-3-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 4-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-1-pentan-3-ylimidazo[4,5-c]pyridine is CCc1nc2c(-c3ccc(C(F)(F)F)cc3Cl)nccc2n1C(CC)CC.
What is the InChIKey of 4-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-1-pentan-3-ylimidazo[4,5-c]pyridine?
The InChIKey is JIOAMLXSOPAXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3/c1-4-13(5-2)27-16-9-10-25-18(19(16)26-17(27)6-3)14-8-7-12(11-15(14)21)20(22,23)24/h7-11,13H,4-6H2,1-3H3.
What are the key properties of 4-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-1-pentan-3-ylimidazo[4,5-c]pyridine?
4-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-1-pentan-3-ylimidazo[4,5-c]pyridine has a molecular weight of 395.86 g/mol, XLogP of 6.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-1-pentan-3-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 18001622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).