3,4-dichloro-2-(3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)phenol

C17H19Cl2N3O — CID 171486585

IUPAC3,4-dichloro-2-(3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)phenol
SMILESOc1ccc(Cl)c(Cl)c1C1Cc2ncc(C3CCNCC3)n2C1
InChIInChI=1S/C17H19Cl2N3O/c18-12-1-2-14(23)16(17(12)19)11-7-15-21-8-13(22(15)9-11)10-3-5-20-6-4-10/h1-2,8,10-11,20,23H,3-7,9H2
InChIKeyILCYYZNVQMTACS-UHFFFAOYSA-N
MW352.27 g/mol
LogP3.70
Rot. Bonds2

About 3,4-dichloro-2-(3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)phenol

3,4-dichloro-2-(3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)phenol (PubChem CID 171486585) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is 3,4-dichloro-2-(3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)phenol.

Molecular Properties

Compound Name3,4-dichloro-2-(3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)phenol
PubChem CID171486585
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC Name3,4-dichloro-2-(3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)phenol
SMILESOc1ccc(Cl)c(Cl)c1C1Cc2ncc(C3CCNCC3)n2C1
InChIInChI=1S/C17H19Cl2N3O/c18-12-1-2-14(23)16(17(12)19)11-7-15-21-8-13(22(15)9-11)10-3-5-20-6-4-10/h1-2,8,10-11,20,23H,3-7,9H2
InChIKeyILCYYZNVQMTACS-UHFFFAOYSA-N
XLogP3.70
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-(3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)phenol?
The IUPAC name of 3,4-dichloro-2-(3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)phenol (CID 171486585) is 3,4-dichloro-2-(3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)phenol.
What is the SMILES notation for 3,4-dichloro-2-(3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)phenol?
The canonical SMILES for 3,4-dichloro-2-(3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)phenol is Oc1ccc(Cl)c(Cl)c1C1Cc2ncc(C3CCNCC3)n2C1.
What is the InChIKey of 3,4-dichloro-2-(3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)phenol?
The InChIKey is ILCYYZNVQMTACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O/c18-12-1-2-14(23)16(17(12)19)11-7-15-21-8-13(22(15)9-11)10-3-5-20-6-4-10/h1-2,8,10-11,20,23H,3-7,9H2.
What are the key properties of 3,4-dichloro-2-(3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)phenol?
3,4-dichloro-2-(3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)phenol has a molecular weight of 352.27 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-(3-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)phenol is sourced from PubChem (CID 171486585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).