2-[3-(1-tert-butylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]-3,4-dichlorophenol

C19H20Cl2N4O — CID 171486653

IUPAC2-[3-(1-tert-butylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]-3,4-dichlorophenol
SMILESCC(C)(C)n1cc(-c2cnc3n2CC(c2c(O)ccc(Cl)c2Cl)C3)cn1
InChIInChI=1S/C19H20Cl2N4O/c1-19(2,3)25-10-12(7-23-25)14-8-22-16-6-11(9-24(14)16)17-15(26)5-4-13(20)18(17)21/h4-5,7-8,10-11,26H,6,9H2,1-3H3
InChIKeyHVIINVCMORWISF-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.85
Rot. Bonds2

About 2-[3-(1-tert-butylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]-3,4-dichlorophenol

2-[3-(1-tert-butylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]-3,4-dichlorophenol (PubChem CID 171486653) has the molecular formula C19H20Cl2N4O and a molecular weight of 391.30 g/mol. Its IUPAC name is 2-[3-(1-tert-butylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]-3,4-dichlorophenol.

Molecular Properties

Compound Name2-[3-(1-tert-butylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]-3,4-dichlorophenol
PubChem CID171486653
Molecular FormulaC19H20Cl2N4O
Molecular Weight391.30 g/mol
Exact Mass390.10
IUPAC Name2-[3-(1-tert-butylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]-3,4-dichlorophenol
SMILESCC(C)(C)n1cc(-c2cnc3n2CC(c2c(O)ccc(Cl)c2Cl)C3)cn1
InChIInChI=1S/C19H20Cl2N4O/c1-19(2,3)25-10-12(7-23-25)14-8-22-16-6-11(9-24(14)16)17-15(26)5-4-13(20)18(17)21/h4-5,7-8,10-11,26H,6,9H2,1-3H3
InChIKeyHVIINVCMORWISF-UHFFFAOYSA-N
XLogP4.85
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-tert-butylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]-3,4-dichlorophenol?
The IUPAC name of 2-[3-(1-tert-butylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]-3,4-dichlorophenol (CID 171486653) is 2-[3-(1-tert-butylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]-3,4-dichlorophenol.
What is the SMILES notation for 2-[3-(1-tert-butylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]-3,4-dichlorophenol?
The canonical SMILES for 2-[3-(1-tert-butylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]-3,4-dichlorophenol is CC(C)(C)n1cc(-c2cnc3n2CC(c2c(O)ccc(Cl)c2Cl)C3)cn1.
What is the InChIKey of 2-[3-(1-tert-butylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]-3,4-dichlorophenol?
The InChIKey is HVIINVCMORWISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O/c1-19(2,3)25-10-12(7-23-25)14-8-22-16-6-11(9-24(14)16)17-15(26)5-4-13(20)18(17)21/h4-5,7-8,10-11,26H,6,9H2,1-3H3.
What are the key properties of 2-[3-(1-tert-butylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]-3,4-dichlorophenol?
2-[3-(1-tert-butylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]-3,4-dichlorophenol has a molecular weight of 391.30 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-tert-butylpyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]-3,4-dichlorophenol is sourced from PubChem (CID 171486653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).