ZGRBDRIMWKDIMW-UHFFFAOYSA-N

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

C₂₂H₂₀F₃N₃O₂ — CID 152646605

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

IUPAC1-[(3,5-dimethoxyphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine

SMILESCOc1cc(CN2CNc3ncc(-c4cccc(C(F)(F)F)c4)cc32)cc(OC)c1

InChIInChI=1S/C22H20F3N3O2/c1-29-18-6-14(7-19(10-18)30-2)12-28-13-27-21-20(28)9-16(11-26-21)15-4-3-5-17(8-15)22(23,24)25/h3-11H,12-13H2,1-2H3,(H,26,27)

InChIKeyZGRBDRIMWKDIMW-UHFFFAOYSA-N

MW415.42 g/mol

LogP5.17

Rot. Bonds5

About ZGRBDRIMWKDIMW-UHFFFAOYSA-N

ZGRBDRIMWKDIMW-UHFFFAOYSA-N (PubChem CID 152646605) has the molecular formula C₂₂H₂₀F₃N₃O₂ and a molecular weight of 415.42 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name	ZGRBDRIMWKDIMW-UHFFFAOYSA-N
PubChem CID	152646605
Molecular Formula	C₂₂H₂₀F₃N₃O₂
Molecular Weight	415.42 g/mol
Exact Mass	415.15
IUPAC Name	1-[(3,5-dimethoxyphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine
SMILES	COc1cc(CN2CNc3ncc(-c4cccc(C(F)(F)F)c4)cc32)cc(OC)c1
InChI	InChI=1S/C22H20F3N3O2/c1-29-18-6-14(7-19(10-18)30-2)12-28-13-27-21-20(28)9-16(11-26-21)15-4-3-5-17(8-15)22(23,24)25/h3-11H,12-13H2,1-2H3,(H,26,27)
InChIKey	ZGRBDRIMWKDIMW-UHFFFAOYSA-N
XLogP	5.17
TPSA	46.62 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.42
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of ZGRBDRIMWKDIMW-UHFFFAOYSA-N (CID 152646605) is 1-[(3,5-dimethoxyphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine.

What is the SMILES notation for ZGRBDRIMWKDIMW-UHFFFAOYSA-N?

The canonical SMILES for ZGRBDRIMWKDIMW-UHFFFAOYSA-N is COc1cc(CN2CNc3ncc(-c4cccc(C(F)(F)F)c4)cc32)cc(OC)c1.

What is the InChIKey of ZGRBDRIMWKDIMW-UHFFFAOYSA-N?

The InChIKey is ZGRBDRIMWKDIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c1-29-18-6-14(7-19(10-18)30-2)12-28-13-27-21-20(28)9-16(11-26-21)15-4-3-5-17(8-15)22(23,24)25/h3-11H,12-13H2,1-2H3,(H,26,27).

What are the key properties of ZGRBDRIMWKDIMW-UHFFFAOYSA-N?

ZGRBDRIMWKDIMW-UHFFFAOYSA-N has a molecular weight of 415.42 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ZGRBDRIMWKDIMW-UHFFFAOYSA-N is sourced from PubChem (CID 152646605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 152646605 — identifiers, structure, computed properties (public domain)

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