(6S)-6-[(3-bromophenyl)methoxy]-2-(3,5-dichlorophenyl)-1-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one

C19H15BrCl2N2O3 — CID 91266579

IUPAC(6S)-6-[(3-bromophenyl)methoxy]-2-(3,5-dichlorophenyl)-1-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one
SMILESO=c1n2c(c(O)n1-c1cc(Cl)cc(Cl)c1)C[C@H](OCc1cccc(Br)c1)C2
InChIInChI=1S/C19H15BrCl2N2O3/c20-12-3-1-2-11(4-12)10-27-16-8-17-18(25)24(19(26)23(17)9-16)15-6-13(21)5-14(22)7-15/h1-7,16,25H,8-10H2/t16-/m0/s1
InChIKeyCBCBZVFNCZCJHR-INIZCTEOSA-N
MW470.15 g/mol
LogP4.56
Rot. Bonds4

About (6S)-6-[(3-bromophenyl)methoxy]-2-(3,5-dichlorophenyl)-1-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one

(6S)-6-[(3-bromophenyl)methoxy]-2-(3,5-dichlorophenyl)-1-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one (PubChem CID 91266579) has the molecular formula C19H15BrCl2N2O3 and a molecular weight of 470.15 g/mol. Its IUPAC name is (6S)-6-[(3-bromophenyl)methoxy]-2-(3,5-dichlorophenyl)-1-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one.

Molecular Properties

Compound Name(6S)-6-[(3-bromophenyl)methoxy]-2-(3,5-dichlorophenyl)-1-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one
PubChem CID91266579
Molecular FormulaC19H15BrCl2N2O3
Molecular Weight470.15 g/mol
Exact Mass467.96
IUPAC Name(6S)-6-[(3-bromophenyl)methoxy]-2-(3,5-dichlorophenyl)-1-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one
SMILESO=c1n2c(c(O)n1-c1cc(Cl)cc(Cl)c1)C[C@H](OCc1cccc(Br)c1)C2
InChIInChI=1S/C19H15BrCl2N2O3/c20-12-3-1-2-11(4-12)10-27-16-8-17-18(25)24(19(26)23(17)9-16)15-6-13(21)5-14(22)7-15/h1-7,16,25H,8-10H2/t16-/m0/s1
InChIKeyCBCBZVFNCZCJHR-INIZCTEOSA-N
XLogP4.56
TPSA56.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.15
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(3-bromophenyl)methoxy]-2-(3,5-dichlorophenyl)-1-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one?
The IUPAC name of (6S)-6-[(3-bromophenyl)methoxy]-2-(3,5-dichlorophenyl)-1-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one (CID 91266579) is (6S)-6-[(3-bromophenyl)methoxy]-2-(3,5-dichlorophenyl)-1-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one.
What is the SMILES notation for (6S)-6-[(3-bromophenyl)methoxy]-2-(3,5-dichlorophenyl)-1-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one?
The canonical SMILES for (6S)-6-[(3-bromophenyl)methoxy]-2-(3,5-dichlorophenyl)-1-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one is O=c1n2c(c(O)n1-c1cc(Cl)cc(Cl)c1)C[C@H](OCc1cccc(Br)c1)C2.
What is the InChIKey of (6S)-6-[(3-bromophenyl)methoxy]-2-(3,5-dichlorophenyl)-1-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one?
The InChIKey is CBCBZVFNCZCJHR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H15BrCl2N2O3/c20-12-3-1-2-11(4-12)10-27-16-8-17-18(25)24(19(26)23(17)9-16)15-6-13(21)5-14(22)7-15/h1-7,16,25H,8-10H2/t16-/m0/s1.
What are the key properties of (6S)-6-[(3-bromophenyl)methoxy]-2-(3,5-dichlorophenyl)-1-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one?
(6S)-6-[(3-bromophenyl)methoxy]-2-(3,5-dichlorophenyl)-1-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one has a molecular weight of 470.15 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(3-bromophenyl)methoxy]-2-(3,5-dichlorophenyl)-1-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one is sourced from PubChem (CID 91266579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).