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

C19H24Cl2N4O — CID 171486588

IUPAC3,4-dichloro-2-[3-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol
SMILESCC(C)N1CCN(c2cnc3n2CC(c2c(O)ccc(Cl)c2Cl)C3)CC1
InChIInChI=1S/C19H24Cl2N4O/c1-12(2)23-5-7-24(8-6-23)17-10-22-16-9-13(11-25(16)17)18-15(26)4-3-14(20)19(18)21/h3-4,10,12-13,26H,5-9,11H2,1-2H3
InChIKeyWBUYEALVQJBPPX-UHFFFAOYSA-N
MW395.33 g/mol
LogP3.77
Rot. Bonds3

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

3,4-dichloro-2-[3-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol (PubChem CID 171486588) has the molecular formula C19H24Cl2N4O and a molecular weight of 395.33 g/mol. Its IUPAC name is 3,4-dichloro-2-[3-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol.

Molecular Properties

Compound Name3,4-dichloro-2-[3-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol
PubChem CID171486588
Molecular FormulaC19H24Cl2N4O
Molecular Weight395.33 g/mol
Exact Mass394.13
IUPAC Name3,4-dichloro-2-[3-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol
SMILESCC(C)N1CCN(c2cnc3n2CC(c2c(O)ccc(Cl)c2Cl)C3)CC1
InChIInChI=1S/C19H24Cl2N4O/c1-12(2)23-5-7-24(8-6-23)17-10-22-16-9-13(11-25(16)17)18-15(26)4-3-14(20)19(18)21/h3-4,10,12-13,26H,5-9,11H2,1-2H3
InChIKeyWBUYEALVQJBPPX-UHFFFAOYSA-N
XLogP3.77
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-[3-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol?
The IUPAC name of 3,4-dichloro-2-[3-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol (CID 171486588) is 3,4-dichloro-2-[3-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol.
What is the SMILES notation for 3,4-dichloro-2-[3-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol?
The canonical SMILES for 3,4-dichloro-2-[3-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol is CC(C)N1CCN(c2cnc3n2CC(c2c(O)ccc(Cl)c2Cl)C3)CC1.
What is the InChIKey of 3,4-dichloro-2-[3-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol?
The InChIKey is WBUYEALVQJBPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N4O/c1-12(2)23-5-7-24(8-6-23)17-10-22-16-9-13(11-25(16)17)18-15(26)4-3-14(20)19(18)21/h3-4,10,12-13,26H,5-9,11H2,1-2H3.
What are the key properties of 3,4-dichloro-2-[3-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol?
3,4-dichloro-2-[3-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol has a molecular weight of 395.33 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-[3-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenol is sourced from PubChem (CID 171486588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).