LBJZNSFFKPMUSD-QHCPKHFHSA-N

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

C₂₄H₂₃F₃N₆O₂ — CID 118127051

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

IUPAC[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-methyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone

SMILESCc1cc(C(=O)N2CCC[C@@]2(C)c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(-n2nccn2)cc1C

InChIInChI=1S/C24H23F3N6O2/c1-14-11-17(20(12-15(14)2)33-28-8-9-29-33)21(34)32-10-4-7-23(32,3)22-30-18-6-5-16(13-19(18)31-22)35-24(25,26)27/h5-6,8-9,11-13H,4,7,10H2,1-3H3,(H,30,31)/t23-/m0/s1

InChIKeyLBJZNSFFKPMUSD-QHCPKHFHSA-N

MW484.48 g/mol

LogP4.81

Rot. Bonds4

About LBJZNSFFKPMUSD-QHCPKHFHSA-N

LBJZNSFFKPMUSD-QHCPKHFHSA-N (PubChem CID 118127051) has the molecular formula C₂₄H₂₃F₃N₆O₂ and a molecular weight of 484.48 g/mol. Its IUPAC name is [4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-methyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name	LBJZNSFFKPMUSD-QHCPKHFHSA-N
PubChem CID	118127051
Molecular Formula	C₂₄H₂₃F₃N₆O₂
Molecular Weight	484.48 g/mol
Exact Mass	484.18
IUPAC Name	[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-methyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone
SMILES	Cc1cc(C(=O)N2CCC[C@@]2(C)c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(-n2nccn2)cc1C
InChI	InChI=1S/C24H23F3N6O2/c1-14-11-17(20(12-15(14)2)33-28-8-9-29-33)21(34)32-10-4-7-23(32,3)22-30-18-6-5-16(13-19(18)31-22)35-24(25,26)27/h5-6,8-9,11-13H,4,7,10H2,1-3H3,(H,30,31)/t23-/m0/s1
InChIKey	LBJZNSFFKPMUSD-QHCPKHFHSA-N
XLogP	4.81
TPSA	88.93 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.48
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of LBJZNSFFKPMUSD-QHCPKHFHSA-N?

The IUPAC name of LBJZNSFFKPMUSD-QHCPKHFHSA-N (CID 118127051) is [4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-methyl-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for LBJZNSFFKPMUSD-QHCPKHFHSA-N?

The canonical SMILES for LBJZNSFFKPMUSD-QHCPKHFHSA-N is Cc1cc(C(=O)N2CCC[C@@]2(C)c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(-n2nccn2)cc1C.

What is the InChIKey of LBJZNSFFKPMUSD-QHCPKHFHSA-N?

The InChIKey is LBJZNSFFKPMUSD-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H23F3N6O2/c1-14-11-17(20(12-15(14)2)33-28-8-9-29-33)21(34)32-10-4-7-23(32,3)22-30-18-6-5-16(13-19(18)31-22)35-24(25,26)27/h5-6,8-9,11-13H,4,7,10H2,1-3H3,(H,30,31)/t23-/m0/s1.

What are the key properties of LBJZNSFFKPMUSD-QHCPKHFHSA-N?

LBJZNSFFKPMUSD-QHCPKHFHSA-N has a molecular weight of 484.48 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for LBJZNSFFKPMUSD-QHCPKHFHSA-N is sourced from PubChem (CID 118127051), 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 118127051 — identifiers, structure, computed properties (public domain)

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