RHDUUZGCENKCTI-HNAYVOBHSA-N

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

C₂₆H₃₀F₃N₃O₂ — CID 118311031

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

IUPACmethyl 6-methyl-2-[4-(trifluoromethyl)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxylate

SMILESCOC(=O)c1cc2nc(Nc3ccc(C(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC(C)(C)C3)c2cc1C

InChIInChI=1S/C26H30F3N3O2/c1-15-10-19(14-25(3,4)13-15)32-22-11-16(2)20(23(33)34-5)12-21(22)31-24(32)30-18-8-6-17(7-9-18)26(27,28)29/h6-9,11-12,15,19H,10,13-14H2,1-5H3,(H,30,31)/t15-,19+/m0/s1

InChIKeyRHDUUZGCENKCTI-HNAYVOBHSA-N

MW473.54 g/mol

LogP7.28

Rot. Bonds4

About RHDUUZGCENKCTI-HNAYVOBHSA-N

RHDUUZGCENKCTI-HNAYVOBHSA-N (PubChem CID 118311031) has the molecular formula C₂₆H₃₀F₃N₃O₂ and a molecular weight of 473.54 g/mol. Its IUPAC name is methyl 6-methyl-2-[4-(trifluoromethyl)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxylate.

Molecular Properties

Compound Name	RHDUUZGCENKCTI-HNAYVOBHSA-N
PubChem CID	118311031
Molecular Formula	C₂₆H₃₀F₃N₃O₂
Molecular Weight	473.54 g/mol
Exact Mass	473.23
IUPAC Name	methyl 6-methyl-2-[4-(trifluoromethyl)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxylate
SMILES	COC(=O)c1cc2nc(Nc3ccc(C(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC(C)(C)C3)c2cc1C
InChI	InChI=1S/C26H30F3N3O2/c1-15-10-19(14-25(3,4)13-15)32-22-11-16(2)20(23(33)34-5)12-21(22)31-24(32)30-18-8-6-17(7-9-18)26(27,28)29/h6-9,11-12,15,19H,10,13-14H2,1-5H3,(H,30,31)/t15-,19+/m0/s1
InChIKey	RHDUUZGCENKCTI-HNAYVOBHSA-N
XLogP	7.28
TPSA	56.15 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.54
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of RHDUUZGCENKCTI-HNAYVOBHSA-N?

The IUPAC name of RHDUUZGCENKCTI-HNAYVOBHSA-N (CID 118311031) is methyl 6-methyl-2-[4-(trifluoromethyl)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxylate.

What is the SMILES notation for RHDUUZGCENKCTI-HNAYVOBHSA-N?

The canonical SMILES for RHDUUZGCENKCTI-HNAYVOBHSA-N is COC(=O)c1cc2nc(Nc3ccc(C(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC(C)(C)C3)c2cc1C.

What is the InChIKey of RHDUUZGCENKCTI-HNAYVOBHSA-N?

The InChIKey is RHDUUZGCENKCTI-HNAYVOBHSA-N. The full InChI is InChI=1S/C26H30F3N3O2/c1-15-10-19(14-25(3,4)13-15)32-22-11-16(2)20(23(33)34-5)12-21(22)31-24(32)30-18-8-6-17(7-9-18)26(27,28)29/h6-9,11-12,15,19H,10,13-14H2,1-5H3,(H,30,31)/t15-,19+/m0/s1.

What are the key properties of RHDUUZGCENKCTI-HNAYVOBHSA-N?

RHDUUZGCENKCTI-HNAYVOBHSA-N has a molecular weight of 473.54 g/mol, XLogP of 7.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for RHDUUZGCENKCTI-HNAYVOBHSA-N is sourced from PubChem (CID 118311031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118311031 — identifiers, structure, computed properties (public domain)

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