(2R)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol

C24H26F3N5O2 — CID 129458634

About (2R)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol

(2R)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol (PubChem CID 129458634) has the molecular formula C24H26F3N5O2 and a molecular weight of 473.50 g/mol. Its IUPAC name is (2R)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
• PubChem CID: 129458634
• Molecular Formula: C24H26F3N5O2
• Molecular Weight: 473.50 g/mol
• Exact Mass: 473.20
• IUPAC Name: (2R)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
• SMILES: CN(Cc1ccc(OCc2nccn2C)cc1)C[C@@H](O)Cn1c(C(F)(F)F)nc2ccccc21
• InChI: InChI=1S/C24H26F3N5O2/c1-30(13-17-7-9-19(10-8-17)34-16-22-28-11-12-31(22)2)14-18(33)15-32-21-6-4-3-5-20(21)29-23(32)24(25,26)27/h3-12,18,33H,13-16H2,1-2H3/t18-/m1/s1
• InChIKey: UNYQMKYFSFBYRT-GOSISDBHSA-N
• XLogP: 3.86
• TPSA: 68.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.50
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?

The IUPAC name of (2R)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol (CID 129458634) is (2R)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol.

What is the SMILES notation for (2R)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?

The canonical SMILES for (2R)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol is CN(Cc1ccc(OCc2nccn2C)cc1)C[C@@H](O)Cn1c(C(F)(F)F)nc2ccccc21.

What is the InChIKey of (2R)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?

The InChIKey is UNYQMKYFSFBYRT-GOSISDBHSA-N. The full InChI is InChI=1S/C24H26F3N5O2/c1-30(13-17-7-9-19(10-8-17)34-16-22-28-11-12-31(22)2)14-18(33)15-32-21-6-4-3-5-20(21)29-23(32)24(25,26)27/h3-12,18,33H,13-16H2,1-2H3/t18-/m1/s1.

What are the key properties of (2R)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?

(2R)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol has a molecular weight of 473.50 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 129458634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).