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

C20H19ClN2O2 — CID 175690563

IUPAC(4-chlorophenyl)-[5-hydroxy-5-(4-methylphenyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone
SMILESCc1ccc(C2(O)CC(C(=O)c3ccc(Cl)cc3)=C3NCCN32)cc1
InChIInChI=1S/C20H19ClN2O2/c1-13-2-6-15(7-3-13)20(25)12-17(19-22-10-11-23(19)20)18(24)14-4-8-16(21)9-5-14/h2-9,22,25H,10-12H2,1H3
InChIKeyWZFUKHRCXCDJTR-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.20
Rot. Bonds3

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

(4-chlorophenyl)-[5-hydroxy-5-(4-methylphenyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone (PubChem CID 175690563) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-hydroxy-5-(4-methylphenyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-hydroxy-5-(4-methylphenyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone
PubChem CID175690563
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name(4-chlorophenyl)-[5-hydroxy-5-(4-methylphenyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone
SMILESCc1ccc(C2(O)CC(C(=O)c3ccc(Cl)cc3)=C3NCCN32)cc1
InChIInChI=1S/C20H19ClN2O2/c1-13-2-6-15(7-3-13)20(25)12-17(19-22-10-11-23(19)20)18(24)14-4-8-16(21)9-5-14/h2-9,22,25H,10-12H2,1H3
InChIKeyWZFUKHRCXCDJTR-UHFFFAOYSA-N
XLogP3.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-hydroxy-5-(4-methylphenyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[5-hydroxy-5-(4-methylphenyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone (CID 175690563) is (4-chlorophenyl)-[5-hydroxy-5-(4-methylphenyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[5-hydroxy-5-(4-methylphenyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[5-hydroxy-5-(4-methylphenyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone is Cc1ccc(C2(O)CC(C(=O)c3ccc(Cl)cc3)=C3NCCN32)cc1.
What is the InChIKey of (4-chlorophenyl)-[5-hydroxy-5-(4-methylphenyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone?
The InChIKey is WZFUKHRCXCDJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-13-2-6-15(7-3-13)20(25)12-17(19-22-10-11-23(19)20)18(24)14-4-8-16(21)9-5-14/h2-9,22,25H,10-12H2,1H3.
What are the key properties of (4-chlorophenyl)-[5-hydroxy-5-(4-methylphenyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone?
(4-chlorophenyl)-[5-hydroxy-5-(4-methylphenyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone has a molecular weight of 354.84 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-hydroxy-5-(4-methylphenyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]methanone is sourced from PubChem (CID 175690563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).