BHKMJDJGCMWMET-MHZLTWQESA-N

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

C₂₈H₂₆F₃N₃O₂ — CID 118127031

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

IUPAC[2-(4-methoxyphenyl)-5-methylphenyl]-[(2S)-2-methyl-2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone

SMILESCOc1ccc(-c2ccc(C)cc2C(=O)N2CCC[C@@]2(C)c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1

InChIInChI=1S/C28H26F3N3O2/c1-17-5-11-21(18-6-9-20(36-3)10-7-18)22(15-17)25(35)34-14-4-13-27(34,2)26-32-23-12-8-19(28(29,30)31)16-24(23)33-26/h5-12,15-16H,4,13-14H2,1-3H3,(H,32,33)/t27-/m0/s1

InChIKeyBHKMJDJGCMWMET-MHZLTWQESA-N

MW493.53 g/mol

LogP6.72

Rot. Bonds4

About BHKMJDJGCMWMET-MHZLTWQESA-N

BHKMJDJGCMWMET-MHZLTWQESA-N (PubChem CID 118127031) has the molecular formula C₂₈H₂₆F₃N₃O₂ and a molecular weight of 493.53 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-5-methylphenyl]-[(2S)-2-methyl-2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name	BHKMJDJGCMWMET-MHZLTWQESA-N
PubChem CID	118127031
Molecular Formula	C₂₈H₂₆F₃N₃O₂
Molecular Weight	493.53 g/mol
Exact Mass	493.20
IUPAC Name	[2-(4-methoxyphenyl)-5-methylphenyl]-[(2S)-2-methyl-2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone
SMILES	COc1ccc(-c2ccc(C)cc2C(=O)N2CCC[C@@]2(C)c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1
InChI	InChI=1S/C28H26F3N3O2/c1-17-5-11-21(18-6-9-20(36-3)10-7-18)22(15-17)25(35)34-14-4-13-27(34,2)26-32-23-12-8-19(28(29,30)31)16-24(23)33-26/h5-12,15-16H,4,13-14H2,1-3H3,(H,32,33)/t27-/m0/s1
InChIKey	BHKMJDJGCMWMET-MHZLTWQESA-N
XLogP	6.72
TPSA	58.22 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.53
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of BHKMJDJGCMWMET-MHZLTWQESA-N?

The IUPAC name of BHKMJDJGCMWMET-MHZLTWQESA-N (CID 118127031) is [2-(4-methoxyphenyl)-5-methylphenyl]-[(2S)-2-methyl-2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for BHKMJDJGCMWMET-MHZLTWQESA-N?

The canonical SMILES for BHKMJDJGCMWMET-MHZLTWQESA-N is COc1ccc(-c2ccc(C)cc2C(=O)N2CCC[C@@]2(C)c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1.

What is the InChIKey of BHKMJDJGCMWMET-MHZLTWQESA-N?

The InChIKey is BHKMJDJGCMWMET-MHZLTWQESA-N. The full InChI is InChI=1S/C28H26F3N3O2/c1-17-5-11-21(18-6-9-20(36-3)10-7-18)22(15-17)25(35)34-14-4-13-27(34,2)26-32-23-12-8-19(28(29,30)31)16-24(23)33-26/h5-12,15-16H,4,13-14H2,1-3H3,(H,32,33)/t27-/m0/s1.

What are the key properties of BHKMJDJGCMWMET-MHZLTWQESA-N?

BHKMJDJGCMWMET-MHZLTWQESA-N has a molecular weight of 493.53 g/mol, XLogP of 6.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for BHKMJDJGCMWMET-MHZLTWQESA-N is sourced from PubChem (CID 118127031), 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 118127031 — identifiers, structure, computed properties (public domain)

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