(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C37H30FN3O — CID 10231038

IUPAC(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESFc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)CC3)cc1
InChIInChI=1S/C37H30FN3O/c38-32-18-16-27(17-19-32)35-36(28-22-24-39-25-23-28)41-33(20-21-34(41)40-35)26-42-37(29-10-4-1-5-11-29,30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-19,22-25,33H,20-21,26H2/t33-/m0/s1
InChIKeyYREYIORTIFTWGR-XIFFEERXSA-N
MW551.67 g/mol
LogP8.25
Rot. Bonds8

About (5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 10231038) has the molecular formula C37H30FN3O and a molecular weight of 551.67 g/mol. Its IUPAC name is (5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID10231038
Molecular FormulaC37H30FN3O
Molecular Weight551.67 g/mol
Exact Mass551.24
IUPAC Name(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESFc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)CC3)cc1
InChIInChI=1S/C37H30FN3O/c38-32-18-16-27(17-19-32)35-36(28-22-24-39-25-23-28)41-33(20-21-34(41)40-35)26-42-37(29-10-4-1-5-11-29,30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-19,22-25,33H,20-21,26H2/t33-/m0/s1
InChIKeyYREYIORTIFTWGR-XIFFEERXSA-N
XLogP8.25
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.67
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of (5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 10231038) is (5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for (5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for (5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)CC3)cc1.
What is the InChIKey of (5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is YREYIORTIFTWGR-XIFFEERXSA-N. The full InChI is InChI=1S/C37H30FN3O/c38-32-18-16-27(17-19-32)35-36(28-22-24-39-25-23-28)41-33(20-21-34(41)40-35)26-42-37(29-10-4-1-5-11-29,30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-19,22-25,33H,20-21,26H2/t33-/m0/s1.
What are the key properties of (5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 551.67 g/mol, XLogP of 8.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 10231038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).