2-amino-2'-(3-chlorophenyl)-3-methylspiro[imidazole-5,9'-xanthene]-4-one

C22H16ClN3O2 — CID 53491838

IUPAC2-amino-2'-(3-chlorophenyl)-3-methylspiro[imidazole-5,9'-xanthene]-4-one
SMILESCN1C(=O)C2(N=C1N)c1ccccc1Oc1ccc(-c3cccc(Cl)c3)cc12
InChIInChI=1S/C22H16ClN3O2/c1-26-20(27)22(25-21(26)24)16-7-2-3-8-18(16)28-19-10-9-14(12-17(19)22)13-5-4-6-15(23)11-13/h2-12H,1H3,(H2,24,25)
InChIKeyZTQKUXJNHZUDKN-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.14
Rot. Bonds1

About 2-amino-2'-(3-chlorophenyl)-3-methylspiro[imidazole-5,9'-xanthene]-4-one

2-amino-2'-(3-chlorophenyl)-3-methylspiro[imidazole-5,9'-xanthene]-4-one (PubChem CID 53491838) has the molecular formula C22H16ClN3O2 and a molecular weight of 389.84 g/mol. Its IUPAC name is 2-amino-2'-(3-chlorophenyl)-3-methylspiro[imidazole-5,9'-xanthene]-4-one.

Molecular Properties

Compound Name2-amino-2'-(3-chlorophenyl)-3-methylspiro[imidazole-5,9'-xanthene]-4-one
PubChem CID53491838
Molecular FormulaC22H16ClN3O2
Molecular Weight389.84 g/mol
Exact Mass389.09
IUPAC Name2-amino-2'-(3-chlorophenyl)-3-methylspiro[imidazole-5,9'-xanthene]-4-one
SMILESCN1C(=O)C2(N=C1N)c1ccccc1Oc1ccc(-c3cccc(Cl)c3)cc12
InChIInChI=1S/C22H16ClN3O2/c1-26-20(27)22(25-21(26)24)16-7-2-3-8-18(16)28-19-10-9-14(12-17(19)22)13-5-4-6-15(23)11-13/h2-12H,1H3,(H2,24,25)
InChIKeyZTQKUXJNHZUDKN-UHFFFAOYSA-N
XLogP4.14
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2'-amino-7-(3-chloro-5-fluorophenyl)-3'-methylspiro[chromeno[2,3-c]pyridine-5,5'-imidazole]-4'-one
CID 53492389
2-amino-2'-bromo-3'-fluoro-3-methylspiro[imidazole-5,9'-xanthene]-4-one
CID 67457293
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-2-ylimidazol-4-one
CID 59388662
2'-amino-10-(3-chlorophenyl)-3'-methylspiro[3,4,6,7-tetrahydro-2H-1,5-benzodioxecine-8,5'-imidazole]-4'-one
CID 91141040
2'-amino-7-(5-methoxy-3-pyridinyl)-3'-methylspiro[chromeno[2,3-c]pyridine-5,5'-imidazole]-4'-one
CID 53492387
2'-amino-6-(3-chlorophenyl)-3,3'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-4'-one
CID 66683613
2-amino-6'-methoxy-3,5'-dimethyl-2'-pyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one
CID 53492521
(2R)-2'-amino-6-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 53246312
2-amino-2'-(5-methoxy-3-pyridinyl)-3-methyl-7'-(trifluoromethoxy)spiro[imidazole-5,9'-xanthene]-4-one
CID 53492524
(3S)-2'-amino-5-(3-chlorophenyl)-3'-methylspiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one
CID 59262559
2-amino-2'-(5-chloro-3-pyridinyl)-7'-methoxy-3-methylspiro[imidazole-5,9'-thioxanthene]-4-one
CID 53492048
CID 58197025
CID 58197025

Frequently Asked Questions

What is the IUPAC name of 2-amino-2'-(3-chlorophenyl)-3-methylspiro[imidazole-5,9'-xanthene]-4-one?
The IUPAC name of 2-amino-2'-(3-chlorophenyl)-3-methylspiro[imidazole-5,9'-xanthene]-4-one (CID 53491838) is 2-amino-2'-(3-chlorophenyl)-3-methylspiro[imidazole-5,9'-xanthene]-4-one.
What is the SMILES notation for 2-amino-2'-(3-chlorophenyl)-3-methylspiro[imidazole-5,9'-xanthene]-4-one?
The canonical SMILES for 2-amino-2'-(3-chlorophenyl)-3-methylspiro[imidazole-5,9'-xanthene]-4-one is CN1C(=O)C2(N=C1N)c1ccccc1Oc1ccc(-c3cccc(Cl)c3)cc12.
What is the InChIKey of 2-amino-2'-(3-chlorophenyl)-3-methylspiro[imidazole-5,9'-xanthene]-4-one?
The InChIKey is ZTQKUXJNHZUDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2/c1-26-20(27)22(25-21(26)24)16-7-2-3-8-18(16)28-19-10-9-14(12-17(19)22)13-5-4-6-15(23)11-13/h2-12H,1H3,(H2,24,25).
What are the key properties of 2-amino-2'-(3-chlorophenyl)-3-methylspiro[imidazole-5,9'-xanthene]-4-one?
2-amino-2'-(3-chlorophenyl)-3-methylspiro[imidazole-5,9'-xanthene]-4-one has a molecular weight of 389.84 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2'-(3-chlorophenyl)-3-methylspiro[imidazole-5,9'-xanthene]-4-one is sourced from PubChem (CID 53491838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).