3-[(7R)-7-hydroxy-7-methyl-5,6-dihydropyrrolo[1,2-a]imidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide

C17H18F3N3O3 — CID 175955603

IUPAC3-[(7R)-7-hydroxy-7-methyl-5,6-dihydropyrrolo[1,2-a]imidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide
SMILESC[C@H](Oc1c(C(N)=O)cccc1-c1cn2c(n1)[C@](C)(O)CC2)C(F)(F)F
InChIInChI=1S/C17H18F3N3O3/c1-9(17(18,19)20)26-13-10(4-3-5-11(13)14(21)24)12-8-23-7-6-16(2,25)15(23)22-12/h3-5,8-9,25H,6-7H2,1-2H3,(H2,21,24)/t9-,16+/m0/s1
InChIKeyKIKBFXFMJUEHJJ-XXFAHNHDSA-N
MW369.34 g/mol
LogP2.59
Rot. Bonds4

About 3-[(7R)-7-hydroxy-7-methyl-5,6-dihydropyrrolo[1,2-a]imidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide

3-[(7R)-7-hydroxy-7-methyl-5,6-dihydropyrrolo[1,2-a]imidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide (PubChem CID 175955603) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is 3-[(7R)-7-hydroxy-7-methyl-5,6-dihydropyrrolo[1,2-a]imidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide.

Molecular Properties

Compound Name3-[(7R)-7-hydroxy-7-methyl-5,6-dihydropyrrolo[1,2-a]imidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide
PubChem CID175955603
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name3-[(7R)-7-hydroxy-7-methyl-5,6-dihydropyrrolo[1,2-a]imidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide
SMILESC[C@H](Oc1c(C(N)=O)cccc1-c1cn2c(n1)[C@](C)(O)CC2)C(F)(F)F
InChIInChI=1S/C17H18F3N3O3/c1-9(17(18,19)20)26-13-10(4-3-5-11(13)14(21)24)12-8-23-7-6-16(2,25)15(23)22-12/h3-5,8-9,25H,6-7H2,1-2H3,(H2,21,24)/t9-,16+/m0/s1
InChIKeyKIKBFXFMJUEHJJ-XXFAHNHDSA-N
XLogP2.59
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(7R)-7-hydroxy-7-methyl-5,6-dihydropyrrolo[1,2-a]imidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(7R)-7-hydroxy-7-methyl-5,6-dihydropyrrolo[1,2-a]imidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide?
The IUPAC name of 3-[(7R)-7-hydroxy-7-methyl-5,6-dihydropyrrolo[1,2-a]imidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide (CID 175955603) is 3-[(7R)-7-hydroxy-7-methyl-5,6-dihydropyrrolo[1,2-a]imidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide.
What is the SMILES notation for 3-[(7R)-7-hydroxy-7-methyl-5,6-dihydropyrrolo[1,2-a]imidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide?
The canonical SMILES for 3-[(7R)-7-hydroxy-7-methyl-5,6-dihydropyrrolo[1,2-a]imidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide is C[C@H](Oc1c(C(N)=O)cccc1-c1cn2c(n1)[C@](C)(O)CC2)C(F)(F)F.
What is the InChIKey of 3-[(7R)-7-hydroxy-7-methyl-5,6-dihydropyrrolo[1,2-a]imidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide?
The InChIKey is KIKBFXFMJUEHJJ-XXFAHNHDSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-9(17(18,19)20)26-13-10(4-3-5-11(13)14(21)24)12-8-23-7-6-16(2,25)15(23)22-12/h3-5,8-9,25H,6-7H2,1-2H3,(H2,21,24)/t9-,16+/m0/s1.
What are the key properties of 3-[(7R)-7-hydroxy-7-methyl-5,6-dihydropyrrolo[1,2-a]imidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide?
3-[(7R)-7-hydroxy-7-methyl-5,6-dihydropyrrolo[1,2-a]imidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide has a molecular weight of 369.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7R)-7-hydroxy-7-methyl-5,6-dihydropyrrolo[1,2-a]imidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide is sourced from PubChem (CID 175955603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).