(2'R)-2-amino-6'-bromo-2'-(2-fluorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one

C18H15BrFN3O2 — CID 67177207

IUPAC(2'R)-2-amino-6'-bromo-2'-(2-fluorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one
SMILESC[C@]1(c2ccccc2F)CC2(N=C(N)NC2=O)c2cc(Br)ccc2O1
InChIInChI=1S/C18H15BrFN3O2/c1-17(11-4-2-3-5-13(11)20)9-18(15(24)22-16(21)23-18)12-8-10(19)6-7-14(12)25-17/h2-8H,9H2,1H3,(H3,21,22,23,24)/t17-,18?/m1/s1
InChIKeyLUVJNSFLCPHRLU-QNSVNVJESA-N
MW404.24 g/mol
LogP2.93
Rot. Bonds1

About (2'R)-2-amino-6'-bromo-2'-(2-fluorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one

(2'R)-2-amino-6'-bromo-2'-(2-fluorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one (PubChem CID 67177207) has the molecular formula C18H15BrFN3O2 and a molecular weight of 404.24 g/mol. Its IUPAC name is (2'R)-2-amino-6'-bromo-2'-(2-fluorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one.

Molecular Properties

Compound Name(2'R)-2-amino-6'-bromo-2'-(2-fluorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one
PubChem CID67177207
Molecular FormulaC18H15BrFN3O2
Molecular Weight404.24 g/mol
Exact Mass403.03
IUPAC Name(2'R)-2-amino-6'-bromo-2'-(2-fluorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one
SMILESC[C@]1(c2ccccc2F)CC2(N=C(N)NC2=O)c2cc(Br)ccc2O1
InChIInChI=1S/C18H15BrFN3O2/c1-17(11-4-2-3-5-13(11)20)9-18(15(24)22-16(21)23-18)12-8-10(19)6-7-14(12)25-17/h2-8H,9H2,1H3,(H3,21,22,23,24)/t17-,18?/m1/s1
InChIKeyLUVJNSFLCPHRLU-QNSVNVJESA-N
XLogP2.93
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.24
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2'R)-2-amino-6'-bromo-2'-(2-fluorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one?
The IUPAC name of (2'R)-2-amino-6'-bromo-2'-(2-fluorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one (CID 67177207) is (2'R)-2-amino-6'-bromo-2'-(2-fluorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one.
What is the SMILES notation for (2'R)-2-amino-6'-bromo-2'-(2-fluorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one?
The canonical SMILES for (2'R)-2-amino-6'-bromo-2'-(2-fluorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one is C[C@]1(c2ccccc2F)CC2(N=C(N)NC2=O)c2cc(Br)ccc2O1.
What is the InChIKey of (2'R)-2-amino-6'-bromo-2'-(2-fluorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one?
The InChIKey is LUVJNSFLCPHRLU-QNSVNVJESA-N. The full InChI is InChI=1S/C18H15BrFN3O2/c1-17(11-4-2-3-5-13(11)20)9-18(15(24)22-16(21)23-18)12-8-10(19)6-7-14(12)25-17/h2-8H,9H2,1H3,(H3,21,22,23,24)/t17-,18?/m1/s1.
What are the key properties of (2'R)-2-amino-6'-bromo-2'-(2-fluorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one?
(2'R)-2-amino-6'-bromo-2'-(2-fluorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one has a molecular weight of 404.24 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R)-2-amino-6'-bromo-2'-(2-fluorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one is sourced from PubChem (CID 67177207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).