GVNGDHCBASCDGL-UHFFFAOYSA-N

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

C₂₁H₁₉F₃N₆O₂ — CID 155729617

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

IUPAC1-piperidin-4-yl-3-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]benzimidazol-2-one

SMILESO=c1n(Cc2ccc(-c3nnc(C(F)(F)F)o3)cn2)c2ccccc2n1C1CCNCC1

InChIInChI=1S/C21H19F3N6O2/c22-21(23,24)19-28-27-18(32-19)13-5-6-14(26-11-13)12-29-16-3-1-2-4-17(16)30(20(29)31)15-7-9-25-10-8-15/h1-6,11,15,25H,7-10,12H2

InChIKeyGVNGDHCBASCDGL-UHFFFAOYSA-N

MW444.42 g/mol

LogP3.24

Rot. Bonds4

About GVNGDHCBASCDGL-UHFFFAOYSA-N

GVNGDHCBASCDGL-UHFFFAOYSA-N (PubChem CID 155729617) has the molecular formula C₂₁H₁₉F₃N₆O₂ and a molecular weight of 444.42 g/mol. Its IUPAC name is 1-piperidin-4-yl-3-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]benzimidazol-2-one.

Molecular Properties

Compound Name	GVNGDHCBASCDGL-UHFFFAOYSA-N
PubChem CID	155729617
Molecular Formula	C₂₁H₁₉F₃N₆O₂
Molecular Weight	444.42 g/mol
Exact Mass	444.15
IUPAC Name	1-piperidin-4-yl-3-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]benzimidazol-2-one
SMILES	O=c1n(Cc2ccc(-c3nnc(C(F)(F)F)o3)cn2)c2ccccc2n1C1CCNCC1
InChI	InChI=1S/C21H19F3N6O2/c22-21(23,24)19-28-27-18(32-19)13-5-6-14(26-11-13)12-29-16-3-1-2-4-17(16)30(20(29)31)15-7-9-25-10-8-15/h1-6,11,15,25H,7-10,12H2
InChIKey	GVNGDHCBASCDGL-UHFFFAOYSA-N
XLogP	3.24
TPSA	90.77 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	4
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.42
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of GVNGDHCBASCDGL-UHFFFAOYSA-N (CID 155729617) is 1-piperidin-4-yl-3-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]benzimidazol-2-one.

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

The canonical SMILES for GVNGDHCBASCDGL-UHFFFAOYSA-N is O=c1n(Cc2ccc(-c3nnc(C(F)(F)F)o3)cn2)c2ccccc2n1C1CCNCC1.

What is the InChIKey of GVNGDHCBASCDGL-UHFFFAOYSA-N?

The InChIKey is GVNGDHCBASCDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O2/c22-21(23,24)19-28-27-18(32-19)13-5-6-14(26-11-13)12-29-16-3-1-2-4-17(16)30(20(29)31)15-7-9-25-10-8-15/h1-6,11,15,25H,7-10,12H2.

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

GVNGDHCBASCDGL-UHFFFAOYSA-N has a molecular weight of 444.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for GVNGDHCBASCDGL-UHFFFAOYSA-N is sourced from PubChem (CID 155729617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155729617 — identifiers, structure, computed properties (public domain)

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