2-[benzyl-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]amino]ethanol

C27H27FN4O — CID 10138271

IUPAC2-[benzyl-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)C[C@@H]1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21
InChIInChI=1S/C27H27FN4O/c28-23-8-6-21(7-9-23)26-27(22-12-14-29-15-13-22)32-24(10-11-25(32)30-26)19-31(16-17-33)18-20-4-2-1-3-5-20/h1-9,12-15,24,33H,10-11,16-19H2/t24-/m0/s1
InChIKeyAAFZDMQLYMBOPY-DEOSSOPVSA-N
MW442.54 g/mol
LogP4.73
Rot. Bonds8

About 2-[benzyl-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]amino]ethanol

2-[benzyl-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]amino]ethanol (PubChem CID 10138271) has the molecular formula C27H27FN4O and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-[benzyl-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]amino]ethanol
PubChem CID10138271
Molecular FormulaC27H27FN4O
Molecular Weight442.54 g/mol
Exact Mass442.22
IUPAC Name2-[benzyl-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)C[C@@H]1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21
InChIInChI=1S/C27H27FN4O/c28-23-8-6-21(7-9-23)26-27(22-12-14-29-15-13-22)32-24(10-11-25(32)30-26)19-31(16-17-33)18-20-4-2-1-3-5-20/h1-9,12-15,24,33H,10-11,16-19H2/t24-/m0/s1
InChIKeyAAFZDMQLYMBOPY-DEOSSOPVSA-N
XLogP4.73
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]amino]ethanol (CID 10138271) is 2-[benzyl-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]amino]ethanol is OCCN(Cc1ccccc1)C[C@@H]1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21.
What is the InChIKey of 2-[benzyl-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]amino]ethanol?
The InChIKey is AAFZDMQLYMBOPY-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H27FN4O/c28-23-8-6-21(7-9-23)26-27(22-12-14-29-15-13-22)32-24(10-11-25(32)30-26)19-31(16-17-33)18-20-4-2-1-3-5-20/h1-9,12-15,24,33H,10-11,16-19H2/t24-/m0/s1.
What are the key properties of 2-[benzyl-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]amino]ethanol?
2-[benzyl-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]amino]ethanol has a molecular weight of 442.54 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]amino]ethanol is sourced from PubChem (CID 10138271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).