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

C20H25Cl2N3O — CID 171486592

IUPAC3,4-dichloro-2-[(6R)-3-(1-propan-2-ylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol
SMILESCC(C)N1CCC(c2cnc3n2C[C@@H](c2c(O)ccc(Cl)c2Cl)C3)CC1
InChIInChI=1S/C20H25Cl2N3O/c1-12(2)24-7-5-13(6-8-24)16-10-23-18-9-14(11-25(16)18)19-17(26)4-3-15(21)20(19)22/h3-4,10,12-14,26H,5-9,11H2,1-2H3/t14-/m0/s1
InChIKeyFHHPUCWCCYENIZ-AWEZNQCLSA-N
MW394.35 g/mol
LogP4.82
Rot. Bonds3

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

3,4-dichloro-2-[(6R)-3-(1-propan-2-ylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol (PubChem CID 171486592) has the molecular formula C20H25Cl2N3O and a molecular weight of 394.35 g/mol. Its IUPAC name is 3,4-dichloro-2-[(6R)-3-(1-propan-2-ylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol.

Molecular Properties

Compound Name3,4-dichloro-2-[(6R)-3-(1-propan-2-ylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol
PubChem CID171486592
Molecular FormulaC20H25Cl2N3O
Molecular Weight394.35 g/mol
Exact Mass393.14
IUPAC Name3,4-dichloro-2-[(6R)-3-(1-propan-2-ylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol
SMILESCC(C)N1CCC(c2cnc3n2C[C@@H](c2c(O)ccc(Cl)c2Cl)C3)CC1
InChIInChI=1S/C20H25Cl2N3O/c1-12(2)24-7-5-13(6-8-24)16-10-23-18-9-14(11-25(16)18)19-17(26)4-3-15(21)20(19)22/h3-4,10,12-14,26H,5-9,11H2,1-2H3/t14-/m0/s1
InChIKeyFHHPUCWCCYENIZ-AWEZNQCLSA-N
XLogP4.82
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-[(6R)-3-(1-propan-2-ylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol?
The IUPAC name of 3,4-dichloro-2-[(6R)-3-(1-propan-2-ylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol (CID 171486592) is 3,4-dichloro-2-[(6R)-3-(1-propan-2-ylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol.
What is the SMILES notation for 3,4-dichloro-2-[(6R)-3-(1-propan-2-ylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol?
The canonical SMILES for 3,4-dichloro-2-[(6R)-3-(1-propan-2-ylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol is CC(C)N1CCC(c2cnc3n2C[C@@H](c2c(O)ccc(Cl)c2Cl)C3)CC1.
What is the InChIKey of 3,4-dichloro-2-[(6R)-3-(1-propan-2-ylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol?
The InChIKey is FHHPUCWCCYENIZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25Cl2N3O/c1-12(2)24-7-5-13(6-8-24)16-10-23-18-9-14(11-25(16)18)19-17(26)4-3-15(21)20(19)22/h3-4,10,12-14,26H,5-9,11H2,1-2H3/t14-/m0/s1.
What are the key properties of 3,4-dichloro-2-[(6R)-3-(1-propan-2-ylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol?
3,4-dichloro-2-[(6R)-3-(1-propan-2-ylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol has a molecular weight of 394.35 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-[(6R)-3-(1-propan-2-ylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol is sourced from PubChem (CID 171486592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).