JIOAMLXSOPAXFI-UHFFFAOYSA-N

Name: JIOAMLXSOPAXFI-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₂₁ClF₃N₃ — CID 18001622

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 JIOAMLXSOPAXFI-UHFFFAOYSA-N

JIOAMLXSOPAXFI-UHFFFAOYSA-N (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 Name	JIOAMLXSOPAXFI-UHFFFAOYSA-N
PubChem CID	18001622
Molecular Formula	C₂₀H₂₁ClF₃N₃
Molecular Weight	395.86 g/mol
Exact Mass	395.14
IUPAC Name	4-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-1-pentan-3-ylimidazo[4,5-c]pyridine
SMILES	CCc1nc2c(-c3ccc(C(F)(F)F)cc3Cl)nccc2n1C(CC)CC
InChI	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
InChIKey	JIOAMLXSOPAXFI-UHFFFAOYSA-N
XLogP	6.69
TPSA	30.71 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.86
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of JIOAMLXSOPAXFI-UHFFFAOYSA-N?

The IUPAC name of JIOAMLXSOPAXFI-UHFFFAOYSA-N (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 JIOAMLXSOPAXFI-UHFFFAOYSA-N?

The canonical SMILES for JIOAMLXSOPAXFI-UHFFFAOYSA-N is CCc1nc2c(-c3ccc(C(F)(F)F)cc3Cl)nccc2n1C(CC)CC.

What is the InChIKey of JIOAMLXSOPAXFI-UHFFFAOYSA-N?

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 JIOAMLXSOPAXFI-UHFFFAOYSA-N?

JIOAMLXSOPAXFI-UHFFFAOYSA-N 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 JIOAMLXSOPAXFI-UHFFFAOYSA-N is sourced from PubChem (CID 18001622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 18001622 — identifiers, structure, computed properties (public domain)

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