ABECTXIJNHIGAY-QFIPXVFZSA-N

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

C₂₃H₁₉ClF₃N₅O — CID 118127424

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

IUPAC[(2S)-2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-methylpyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone

SMILESC[C@@]1(c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)CCCN1C(=O)c1ccccc1-n1cccn1

InChIInChI=1S/C23H19ClF3N5O/c1-22(21-29-17-12-15(23(25,26)27)16(24)13-18(17)30-21)8-4-10-31(22)20(33)14-6-2-3-7-19(14)32-11-5-9-28-32/h2-3,5-7,9,11-13H,4,8,10H2,1H3,(H,29,30)/t22-/m0/s1

InChIKeyABECTXIJNHIGAY-QFIPXVFZSA-N

MW473.89 g/mol

LogP5.57

Rot. Bonds3

About ABECTXIJNHIGAY-QFIPXVFZSA-N

ABECTXIJNHIGAY-QFIPXVFZSA-N (PubChem CID 118127424) has the molecular formula C₂₃H₁₉ClF₃N₅O and a molecular weight of 473.89 g/mol. Its IUPAC name is [(2S)-2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-methylpyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name	ABECTXIJNHIGAY-QFIPXVFZSA-N
PubChem CID	118127424
Molecular Formula	C₂₃H₁₉ClF₃N₅O
Molecular Weight	473.89 g/mol
Exact Mass	473.12
IUPAC Name	[(2S)-2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-methylpyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
SMILES	C[C@@]1(c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)CCCN1C(=O)c1ccccc1-n1cccn1
InChI	InChI=1S/C23H19ClF3N5O/c1-22(21-29-17-12-15(23(25,26)27)16(24)13-18(17)30-21)8-4-10-31(22)20(33)14-6-2-3-7-19(14)32-11-5-9-28-32/h2-3,5-7,9,11-13H,4,8,10H2,1H3,(H,29,30)/t22-/m0/s1
InChIKey	ABECTXIJNHIGAY-QFIPXVFZSA-N
XLogP	5.57
TPSA	66.81 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.89
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of ABECTXIJNHIGAY-QFIPXVFZSA-N (CID 118127424) is [(2S)-2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-methylpyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone.

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

The canonical SMILES for ABECTXIJNHIGAY-QFIPXVFZSA-N is C[C@@]1(c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)CCCN1C(=O)c1ccccc1-n1cccn1.

What is the InChIKey of ABECTXIJNHIGAY-QFIPXVFZSA-N?

The InChIKey is ABECTXIJNHIGAY-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H19ClF3N5O/c1-22(21-29-17-12-15(23(25,26)27)16(24)13-18(17)30-21)8-4-10-31(22)20(33)14-6-2-3-7-19(14)32-11-5-9-28-32/h2-3,5-7,9,11-13H,4,8,10H2,1H3,(H,29,30)/t22-/m0/s1.

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

ABECTXIJNHIGAY-QFIPXVFZSA-N has a molecular weight of 473.89 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ABECTXIJNHIGAY-QFIPXVFZSA-N is sourced from PubChem (CID 118127424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118127424 — identifiers, structure, computed properties (public domain)

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