(4-chlorophenyl)-[5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone

C19H15ClF2N2O2 — CID 175690440

IUPAC(4-chlorophenyl)-[5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone
SMILESO=C(C1=C2NCCN2C(O)(c2ccc(F)c(F)c2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClF2N2O2/c20-13-4-1-11(2-5-13)17(25)14-10-19(26,24-8-7-23-18(14)24)12-3-6-15(21)16(22)9-12/h1-6,9,23,26H,7-8,10H2
InChIKeyGAPIIGHDAGBVGR-UHFFFAOYSA-N
MW376.79 g/mol
LogP3.17
Rot. Bonds3

About (4-chlorophenyl)-[5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone

(4-chlorophenyl)-[5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone (PubChem CID 175690440) has the molecular formula C19H15ClF2N2O2 and a molecular weight of 376.79 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone
PubChem CID175690440
Molecular FormulaC19H15ClF2N2O2
Molecular Weight376.79 g/mol
Exact Mass376.08
IUPAC Name(4-chlorophenyl)-[5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone
SMILESO=C(C1=C2NCCN2C(O)(c2ccc(F)c(F)c2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClF2N2O2/c20-13-4-1-11(2-5-13)17(25)14-10-19(26,24-8-7-23-18(14)24)12-3-6-15(21)16(22)9-12/h1-6,9,23,26H,7-8,10H2
InChIKeyGAPIIGHDAGBVGR-UHFFFAOYSA-N
XLogP3.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.79
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone (CID 175690440) is (4-chlorophenyl)-[5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone is O=C(C1=C2NCCN2C(O)(c2ccc(F)c(F)c2)C1)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-[5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone?
The InChIKey is GAPIIGHDAGBVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N2O2/c20-13-4-1-11(2-5-13)17(25)14-10-19(26,24-8-7-23-18(14)24)12-3-6-15(21)16(22)9-12/h1-6,9,23,26H,7-8,10H2.
What are the key properties of (4-chlorophenyl)-[5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone?
(4-chlorophenyl)-[5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone has a molecular weight of 376.79 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone is sourced from PubChem (CID 175690440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).