KMHUQDZRJMEDGD-DLBZAZTESA-N

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

C₂₀H₂₁F₃N₄ — CID 155052477

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

IUPAC2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-benzimidazole

SMILESCc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)N1CC(F)(F)F

InChIInChI=1S/C20H21F3N4/c1-13-6-5-11-24-18(13)16-9-4-10-17(27(16)12-20(21,22)23)19-25-14-7-2-3-8-15(14)26-19/h2-3,5-8,11,16-17H,4,9-10,12H2,1H3,(H,25,26)/t16-,17+/m0/s1

InChIKeyKMHUQDZRJMEDGD-DLBZAZTESA-N

MW374.41 g/mol

LogP5.10

Rot. Bonds3

About KMHUQDZRJMEDGD-DLBZAZTESA-N

KMHUQDZRJMEDGD-DLBZAZTESA-N (PubChem CID 155052477) has the molecular formula C₂₀H₂₁F₃N₄ and a molecular weight of 374.41 g/mol. Its IUPAC name is 2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name	KMHUQDZRJMEDGD-DLBZAZTESA-N
PubChem CID	155052477
Molecular Formula	C₂₀H₂₁F₃N₄
Molecular Weight	374.41 g/mol
Exact Mass	374.17
IUPAC Name	2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-benzimidazole
SMILES	Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)N1CC(F)(F)F
InChI	InChI=1S/C20H21F3N4/c1-13-6-5-11-24-18(13)16-9-4-10-17(27(16)12-20(21,22)23)19-25-14-7-2-3-8-15(14)26-19/h2-3,5-8,11,16-17H,4,9-10,12H2,1H3,(H,25,26)/t16-,17+/m0/s1
InChIKey	KMHUQDZRJMEDGD-DLBZAZTESA-N
XLogP	5.10
TPSA	44.81 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	374.41
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of KMHUQDZRJMEDGD-DLBZAZTESA-N?

The IUPAC name of KMHUQDZRJMEDGD-DLBZAZTESA-N (CID 155052477) is 2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-benzimidazole.

What is the SMILES notation for KMHUQDZRJMEDGD-DLBZAZTESA-N?

The canonical SMILES for KMHUQDZRJMEDGD-DLBZAZTESA-N is Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)N1CC(F)(F)F.

What is the InChIKey of KMHUQDZRJMEDGD-DLBZAZTESA-N?

The InChIKey is KMHUQDZRJMEDGD-DLBZAZTESA-N. The full InChI is InChI=1S/C20H21F3N4/c1-13-6-5-11-24-18(13)16-9-4-10-17(27(16)12-20(21,22)23)19-25-14-7-2-3-8-15(14)26-19/h2-3,5-8,11,16-17H,4,9-10,12H2,1H3,(H,25,26)/t16-,17+/m0/s1.

What are the key properties of KMHUQDZRJMEDGD-DLBZAZTESA-N?

KMHUQDZRJMEDGD-DLBZAZTESA-N has a molecular weight of 374.41 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for KMHUQDZRJMEDGD-DLBZAZTESA-N is sourced from PubChem (CID 155052477), 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 155052477 — identifiers, structure, computed properties (public domain)

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