(7R,8aS)-2-[(1-methylimidazol-2-yl)methyl]-7-phenoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C18H24N4O — CID 97458453

IUPAC(7R,8aS)-2-[(1-methylimidazol-2-yl)methyl]-7-phenoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCn1ccnc1CN1CCN2C[C@H](Oc3ccccc3)C[C@H]2C1
InChIInChI=1S/C18H24N4O/c1-20-8-7-19-18(20)14-21-9-10-22-13-17(11-15(22)12-21)23-16-5-3-2-4-6-16/h2-8,15,17H,9-14H2,1H3/t15-,17+/m0/s1
InChIKeyUTJHVBUQRHPGHA-DOTOQJQBSA-N
MW312.42 g/mol
LogP1.76
Rot. Bonds4

About (7R,8aS)-2-[(1-methylimidazol-2-yl)methyl]-7-phenoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

(7R,8aS)-2-[(1-methylimidazol-2-yl)methyl]-7-phenoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 97458453) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (7R,8aS)-2-[(1-methylimidazol-2-yl)methyl]-7-phenoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(7R,8aS)-2-[(1-methylimidazol-2-yl)methyl]-7-phenoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID97458453
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(7R,8aS)-2-[(1-methylimidazol-2-yl)methyl]-7-phenoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCn1ccnc1CN1CCN2C[C@H](Oc3ccccc3)C[C@H]2C1
InChIInChI=1S/C18H24N4O/c1-20-8-7-19-18(20)14-21-9-10-22-13-17(11-15(22)12-21)23-16-5-3-2-4-6-16/h2-8,15,17H,9-14H2,1H3/t15-,17+/m0/s1
InChIKeyUTJHVBUQRHPGHA-DOTOQJQBSA-N
XLogP1.76
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7R,8aS)-2-[(1-methylimidazol-2-yl)methyl]-7-phenoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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

Launch Full Analysis

Related Compounds

Imiloxan
CID 133621
1H-Imidazole, 1-(2-phenoxyethyl)-
CID 13569172
(5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)-2-(phenoxymethyl)-imidazo[1,2-a]pyridine-6,7,8-triol
CID 11197529
1-Methyl-3-[3-[4-[3-(3-methylimidazol-3-ium-1-yl)propoxy]phenoxy]propyl]imidazol-1-ium diiodide
CID 46186432
1-(3-Phenoxypropyl)-1H-imidazole
CID 2841183
2-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-1-propan-2-ylimidazole
CID 12761768
1-Butyl-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazole;hydrochloride
CID 12761770
7-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 137643375
1-(2-Methyl-imidazol-1-yl)-3-phenoxy-propan-2-ol
CID 3144349
1-(4-Phenoxybutyl)imidazole
CID 3682853
1-(6-phenoxyhexyl)-1H-imidazole
CID 3776215
Imiloxan, (R)-
CID 6603891

Frequently Asked Questions

What is the IUPAC name of (7R,8aS)-2-[(1-methylimidazol-2-yl)methyl]-7-phenoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (7R,8aS)-2-[(1-methylimidazol-2-yl)methyl]-7-phenoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 97458453) is (7R,8aS)-2-[(1-methylimidazol-2-yl)methyl]-7-phenoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (7R,8aS)-2-[(1-methylimidazol-2-yl)methyl]-7-phenoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (7R,8aS)-2-[(1-methylimidazol-2-yl)methyl]-7-phenoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is Cn1ccnc1CN1CCN2C[C@H](Oc3ccccc3)C[C@H]2C1.
What is the InChIKey of (7R,8aS)-2-[(1-methylimidazol-2-yl)methyl]-7-phenoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is UTJHVBUQRHPGHA-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H24N4O/c1-20-8-7-19-18(20)14-21-9-10-22-13-17(11-15(22)12-21)23-16-5-3-2-4-6-16/h2-8,15,17H,9-14H2,1H3/t15-,17+/m0/s1.
What are the key properties of (7R,8aS)-2-[(1-methylimidazol-2-yl)methyl]-7-phenoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(7R,8aS)-2-[(1-methylimidazol-2-yl)methyl]-7-phenoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 312.42 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aS)-2-[(1-methylimidazol-2-yl)methyl]-7-phenoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 97458453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).