VUTFFNWDJRIKNK-UHFFFAOYSA-N

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

C₂₉H₂₂F₆N₆O₃ — CID 155729859

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

IUPAC3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzimidazol-2-one

SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(n2c(=O)n(Cc3ccc(-c4nnc(C(F)F)o4)cn3)c3cc(F)ccc32)CC1

InChIInChI=1S/C29H22F6N6O3/c30-19-6-8-22-23(13-19)40(15-20-7-3-17(14-36-20)25-37-38-26(44-25)24(31)32)28(43)41(22)21-9-11-39(12-10-21)27(42)16-1-4-18(5-2-16)29(33,34)35/h1-8,13-14,21,24H,9-12,15H2

InChIKeyVUTFFNWDJRIKNK-UHFFFAOYSA-N

MW616.52 g/mol

LogP5.87

Rot. Bonds6

About VUTFFNWDJRIKNK-UHFFFAOYSA-N

VUTFFNWDJRIKNK-UHFFFAOYSA-N (PubChem CID 155729859) has the molecular formula C₂₉H₂₂F₆N₆O₃ and a molecular weight of 616.52 g/mol. Its IUPAC name is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzimidazol-2-one.

Molecular Properties

Compound Name	VUTFFNWDJRIKNK-UHFFFAOYSA-N
PubChem CID	155729859
Molecular Formula	C₂₉H₂₂F₆N₆O₃
Molecular Weight	616.52 g/mol
Exact Mass	616.17
IUPAC Name	3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzimidazol-2-one
SMILES	O=C(c1ccc(C(F)(F)F)cc1)N1CCC(n2c(=O)n(Cc3ccc(-c4nnc(C(F)F)o4)cn3)c3cc(F)ccc32)CC1
InChI	InChI=1S/C29H22F6N6O3/c30-19-6-8-22-23(13-19)40(15-20-7-3-17(14-36-20)25-37-38-26(44-25)24(31)32)28(43)41(22)21-9-11-39(12-10-21)27(42)16-1-4-18(5-2-16)29(33,34)35/h1-8,13-14,21,24H,9-12,15H2
InChIKey	VUTFFNWDJRIKNK-UHFFFAOYSA-N
XLogP	5.87
TPSA	99.05 Å²
H-Bond Donors
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	44
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.52
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of VUTFFNWDJRIKNK-UHFFFAOYSA-N (CID 155729859) is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzimidazol-2-one.

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

The canonical SMILES for VUTFFNWDJRIKNK-UHFFFAOYSA-N is O=C(c1ccc(C(F)(F)F)cc1)N1CCC(n2c(=O)n(Cc3ccc(-c4nnc(C(F)F)o4)cn3)c3cc(F)ccc32)CC1.

What is the InChIKey of VUTFFNWDJRIKNK-UHFFFAOYSA-N?

The InChIKey is VUTFFNWDJRIKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F6N6O3/c30-19-6-8-22-23(13-19)40(15-20-7-3-17(14-36-20)25-37-38-26(44-25)24(31)32)28(43)41(22)21-9-11-39(12-10-21)27(42)16-1-4-18(5-2-16)29(33,34)35/h1-8,13-14,21,24H,9-12,15H2.

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

VUTFFNWDJRIKNK-UHFFFAOYSA-N has a molecular weight of 616.52 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for VUTFFNWDJRIKNK-UHFFFAOYSA-N is sourced from PubChem (CID 155729859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 155729859 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.