VBQVFKBIMZYYAL-AWEZNQCLSA-N

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

C₂₃H₁₈F₃N₃O₂ — CID 155214260

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

IUPACN-[(1S)-1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

SMILESC[C@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1ncc[nH]1

InChIInChI=1S/C23H18F3N3O2/c1-14(21-27-11-12-28-21)29-22(30)16-5-10-19-15(13-16)3-2-4-20(19)31-18-8-6-17(7-9-18)23(24,25)26/h2-14H,1H3,(H,27,28)(H,29,30)/t14-/m0/s1

InChIKeyVBQVFKBIMZYYAL-AWEZNQCLSA-N

MW425.41 g/mol

LogP5.86

Rot. Bonds5

About VBQVFKBIMZYYAL-AWEZNQCLSA-N

VBQVFKBIMZYYAL-AWEZNQCLSA-N (PubChem CID 155214260) has the molecular formula C₂₃H₁₈F₃N₃O₂ and a molecular weight of 425.41 g/mol. Its IUPAC name is N-[(1S)-1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound Name	VBQVFKBIMZYYAL-AWEZNQCLSA-N
PubChem CID	155214260
Molecular Formula	C₂₃H₁₈F₃N₃O₂
Molecular Weight	425.41 g/mol
Exact Mass	425.14
IUPAC Name	N-[(1S)-1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILES	C[C@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1ncc[nH]1
InChI	InChI=1S/C23H18F3N3O2/c1-14(21-27-11-12-28-21)29-22(30)16-5-10-19-15(13-16)3-2-4-20(19)31-18-8-6-17(7-9-18)23(24,25)26/h2-14H,1H3,(H,27,28)(H,29,30)/t14-/m0/s1
InChIKey	VBQVFKBIMZYYAL-AWEZNQCLSA-N
XLogP	5.86
TPSA	67.01 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.41
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of VBQVFKBIMZYYAL-AWEZNQCLSA-N?

The IUPAC name of VBQVFKBIMZYYAL-AWEZNQCLSA-N (CID 155214260) is N-[(1S)-1-(1H-imidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

What is the SMILES notation for VBQVFKBIMZYYAL-AWEZNQCLSA-N?

The canonical SMILES for VBQVFKBIMZYYAL-AWEZNQCLSA-N is C[C@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1ncc[nH]1.

What is the InChIKey of VBQVFKBIMZYYAL-AWEZNQCLSA-N?

The InChIKey is VBQVFKBIMZYYAL-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H18F3N3O2/c1-14(21-27-11-12-28-21)29-22(30)16-5-10-19-15(13-16)3-2-4-20(19)31-18-8-6-17(7-9-18)23(24,25)26/h2-14H,1H3,(H,27,28)(H,29,30)/t14-/m0/s1.

What are the key properties of VBQVFKBIMZYYAL-AWEZNQCLSA-N?

VBQVFKBIMZYYAL-AWEZNQCLSA-N has a molecular weight of 425.41 g/mol, XLogP of 5.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for VBQVFKBIMZYYAL-AWEZNQCLSA-N is sourced from PubChem (CID 155214260), 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 155214260 — identifiers, structure, computed properties (public domain)

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