1-[[6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methyl]-3-(trifluoromethyl)azetidin-3-ol

C17H16Cl2F3N3O2 — CID 178128824

IUPAC1-[[6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methyl]-3-(trifluoromethyl)azetidin-3-ol
SMILESOc1ccc(Cl)c(Cl)c1C1Cc2nc(CN3CC(O)(C(F)(F)F)C3)cn2C1
InChIInChI=1S/C17H16Cl2F3N3O2/c18-11-1-2-12(26)14(15(11)19)9-3-13-23-10(6-25(13)4-9)5-24-7-16(27,8-24)17(20,21)22/h1-2,6,9,26-27H,3-5,7-8H2
InChIKeyHUWFVGNZVHXDSO-UHFFFAOYSA-N
MW422.23 g/mol
LogP3.34
Rot. Bonds3

About 1-[[6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methyl]-3-(trifluoromethyl)azetidin-3-ol

1-[[6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methyl]-3-(trifluoromethyl)azetidin-3-ol (PubChem CID 178128824) has the molecular formula C17H16Cl2F3N3O2 and a molecular weight of 422.23 g/mol. Its IUPAC name is 1-[[6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methyl]-3-(trifluoromethyl)azetidin-3-ol.

Molecular Properties

Compound Name1-[[6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methyl]-3-(trifluoromethyl)azetidin-3-ol
PubChem CID178128824
Molecular FormulaC17H16Cl2F3N3O2
Molecular Weight422.23 g/mol
Exact Mass421.06
IUPAC Name1-[[6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methyl]-3-(trifluoromethyl)azetidin-3-ol
SMILESOc1ccc(Cl)c(Cl)c1C1Cc2nc(CN3CC(O)(C(F)(F)F)C3)cn2C1
InChIInChI=1S/C17H16Cl2F3N3O2/c18-11-1-2-12(26)14(15(11)19)9-3-13-23-10(6-25(13)4-9)5-24-7-16(27,8-24)17(20,21)22/h1-2,6,9,26-27H,3-5,7-8H2
InChIKeyHUWFVGNZVHXDSO-UHFFFAOYSA-N
XLogP3.34
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.23
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methyl]-3-(trifluoromethyl)azetidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methyl]-3-(trifluoromethyl)azetidin-3-ol?
The IUPAC name of 1-[[6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methyl]-3-(trifluoromethyl)azetidin-3-ol (CID 178128824) is 1-[[6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methyl]-3-(trifluoromethyl)azetidin-3-ol.
What is the SMILES notation for 1-[[6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methyl]-3-(trifluoromethyl)azetidin-3-ol?
The canonical SMILES for 1-[[6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methyl]-3-(trifluoromethyl)azetidin-3-ol is Oc1ccc(Cl)c(Cl)c1C1Cc2nc(CN3CC(O)(C(F)(F)F)C3)cn2C1.
What is the InChIKey of 1-[[6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methyl]-3-(trifluoromethyl)azetidin-3-ol?
The InChIKey is HUWFVGNZVHXDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2F3N3O2/c18-11-1-2-12(26)14(15(11)19)9-3-13-23-10(6-25(13)4-9)5-24-7-16(27,8-24)17(20,21)22/h1-2,6,9,26-27H,3-5,7-8H2.
What are the key properties of 1-[[6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methyl]-3-(trifluoromethyl)azetidin-3-ol?
1-[[6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methyl]-3-(trifluoromethyl)azetidin-3-ol has a molecular weight of 422.23 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(2,3-dichloro-6-hydroxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]methyl]-3-(trifluoromethyl)azetidin-3-ol is sourced from PubChem (CID 178128824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).