SNBIAKJEFSCBDU-QFIPXVFZSA-N

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

C₃₀H₂₈F₃N₅O₄ — CID 151872842

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

IUPAC3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylic acid

SMILESO=C(O)c1ccc2nc(CN3CC=C(c4cccc(OCc5ccc(C(F)(F)F)nc5)n4)CC3)n(C[C@@H]3CCO3)c2c1

InChIInChI=1S/C30H28F3N5O4/c31-30(32,33)26-7-4-19(15-34-26)18-42-28-3-1-2-23(36-28)20-8-11-37(12-9-20)17-27-35-24-6-5-21(29(39)40)14-25(24)38(27)16-22-10-13-41-22/h1-8,14-15,22H,9-13,16-18H2,(H,39,40)/t22-/m0/s1

InChIKeySNBIAKJEFSCBDU-QFIPXVFZSA-N

MW579.58 g/mol

LogP5.20

Rot. Bonds9

About SNBIAKJEFSCBDU-QFIPXVFZSA-N

SNBIAKJEFSCBDU-QFIPXVFZSA-N (PubChem CID 151872842) has the molecular formula C₃₀H₂₈F₃N₅O₄ and a molecular weight of 579.58 g/mol. Its IUPAC name is 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name	SNBIAKJEFSCBDU-QFIPXVFZSA-N
PubChem CID	151872842
Molecular Formula	C₃₀H₂₈F₃N₅O₄
Molecular Weight	579.58 g/mol
Exact Mass	579.21
IUPAC Name	3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylic acid
SMILES	O=C(O)c1ccc2nc(CN3CC=C(c4cccc(OCc5ccc(C(F)(F)F)nc5)n4)CC3)n(C[C@@H]3CCO3)c2c1
InChI	InChI=1S/C30H28F3N5O4/c31-30(32,33)26-7-4-19(15-34-26)18-42-28-3-1-2-23(36-28)20-8-11-37(12-9-20)17-27-35-24-6-5-21(29(39)40)14-25(24)38(27)16-22-10-13-41-22/h1-8,14-15,22H,9-13,16-18H2,(H,39,40)/t22-/m0/s1
InChIKey	SNBIAKJEFSCBDU-QFIPXVFZSA-N
XLogP	5.20
TPSA	102.60 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	9
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.58
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of SNBIAKJEFSCBDU-QFIPXVFZSA-N?

The IUPAC name of SNBIAKJEFSCBDU-QFIPXVFZSA-N (CID 151872842) is 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylic acid.

What is the SMILES notation for SNBIAKJEFSCBDU-QFIPXVFZSA-N?

The canonical SMILES for SNBIAKJEFSCBDU-QFIPXVFZSA-N is O=C(O)c1ccc2nc(CN3CC=C(c4cccc(OCc5ccc(C(F)(F)F)nc5)n4)CC3)n(C[C@@H]3CCO3)c2c1.

What is the InChIKey of SNBIAKJEFSCBDU-QFIPXVFZSA-N?

The InChIKey is SNBIAKJEFSCBDU-QFIPXVFZSA-N. The full InChI is InChI=1S/C30H28F3N5O4/c31-30(32,33)26-7-4-19(15-34-26)18-42-28-3-1-2-23(36-28)20-8-11-37(12-9-20)17-27-35-24-6-5-21(29(39)40)14-25(24)38(27)16-22-10-13-41-22/h1-8,14-15,22H,9-13,16-18H2,(H,39,40)/t22-/m0/s1.

What are the key properties of SNBIAKJEFSCBDU-QFIPXVFZSA-N?

SNBIAKJEFSCBDU-QFIPXVFZSA-N has a molecular weight of 579.58 g/mol, XLogP of 5.20, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for SNBIAKJEFSCBDU-QFIPXVFZSA-N is sourced from PubChem (CID 151872842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 151872842 — identifiers, structure, computed properties (public domain)

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