BGCVCDXDLBAJDW-VWLOTQADSA-N

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

C₂₆H₂₃F₃N₄O₂ — CID 118127721

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

IUPAC(4-methyl-2-pyridin-2-ylphenyl)-[(2S)-2-methyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone

SMILESCc1ccc(C(=O)N2CCC[C@@]2(C)c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(-c2ccccn2)c1

InChIInChI=1S/C26H23F3N4O2/c1-16-7-9-18(19(14-16)20-6-3-4-12-30-20)23(34)33-13-5-11-25(33,2)24-31-21-10-8-17(15-22(21)32-24)35-26(27,28)29/h3-4,6-10,12,14-15H,5,11,13H2,1-2H3,(H,31,32)/t25-/m0/s1

InChIKeyBGCVCDXDLBAJDW-VWLOTQADSA-N

MW480.49 g/mol

LogP5.98

Rot. Bonds4

About BGCVCDXDLBAJDW-VWLOTQADSA-N

BGCVCDXDLBAJDW-VWLOTQADSA-N (PubChem CID 118127721) has the molecular formula C₂₆H₂₃F₃N₄O₂ and a molecular weight of 480.49 g/mol. Its IUPAC name is (4-methyl-2-pyridin-2-ylphenyl)-[(2S)-2-methyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name	BGCVCDXDLBAJDW-VWLOTQADSA-N
PubChem CID	118127721
Molecular Formula	C₂₆H₂₃F₃N₄O₂
Molecular Weight	480.49 g/mol
Exact Mass	480.18
IUPAC Name	(4-methyl-2-pyridin-2-ylphenyl)-[(2S)-2-methyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone
SMILES	Cc1ccc(C(=O)N2CCC[C@@]2(C)c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(-c2ccccn2)c1
InChI	InChI=1S/C26H23F3N4O2/c1-16-7-9-18(19(14-16)20-6-3-4-12-30-20)23(34)33-13-5-11-25(33,2)24-31-21-10-8-17(15-22(21)32-24)35-26(27,28)29/h3-4,6-10,12,14-15H,5,11,13H2,1-2H3,(H,31,32)/t25-/m0/s1
InChIKey	BGCVCDXDLBAJDW-VWLOTQADSA-N
XLogP	5.98
TPSA	71.11 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.49
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of BGCVCDXDLBAJDW-VWLOTQADSA-N?

The IUPAC name of BGCVCDXDLBAJDW-VWLOTQADSA-N (CID 118127721) is (4-methyl-2-pyridin-2-ylphenyl)-[(2S)-2-methyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for BGCVCDXDLBAJDW-VWLOTQADSA-N?

The canonical SMILES for BGCVCDXDLBAJDW-VWLOTQADSA-N is Cc1ccc(C(=O)N2CCC[C@@]2(C)c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(-c2ccccn2)c1.

What is the InChIKey of BGCVCDXDLBAJDW-VWLOTQADSA-N?

The InChIKey is BGCVCDXDLBAJDW-VWLOTQADSA-N. The full InChI is InChI=1S/C26H23F3N4O2/c1-16-7-9-18(19(14-16)20-6-3-4-12-30-20)23(34)33-13-5-11-25(33,2)24-31-21-10-8-17(15-22(21)32-24)35-26(27,28)29/h3-4,6-10,12,14-15H,5,11,13H2,1-2H3,(H,31,32)/t25-/m0/s1.

What are the key properties of BGCVCDXDLBAJDW-VWLOTQADSA-N?

BGCVCDXDLBAJDW-VWLOTQADSA-N has a molecular weight of 480.49 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for BGCVCDXDLBAJDW-VWLOTQADSA-N is sourced from PubChem (CID 118127721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118127721 — identifiers, structure, computed properties (public domain)

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