2'-amino-2-(2-fluorophenyl)-3'-methyl-6-(3-methylphenyl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one

C25H22FN3O2 — CID 91306419

IUPAC2'-amino-2-(2-fluorophenyl)-3'-methyl-6-(3-methylphenyl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one
SMILESCc1cccc(-c2ccc3c(c2)C2(CC(c4ccccc4F)O3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C25H22FN3O2/c1-15-6-5-7-16(12-15)17-10-11-21-19(13-17)25(23(30)29(2)24(27)28-25)14-22(31-21)18-8-3-4-9-20(18)26/h3-13,22H,14H2,1-2H3,(H2,27,28)
InChIKeyYYNCJZYMVNLMSU-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.31
Rot. Bonds2

About 2'-amino-2-(2-fluorophenyl)-3'-methyl-6-(3-methylphenyl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one

2'-amino-2-(2-fluorophenyl)-3'-methyl-6-(3-methylphenyl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one (PubChem CID 91306419) has the molecular formula C25H22FN3O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is 2'-amino-2-(2-fluorophenyl)-3'-methyl-6-(3-methylphenyl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one.

Molecular Properties

Compound Name2'-amino-2-(2-fluorophenyl)-3'-methyl-6-(3-methylphenyl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one
PubChem CID91306419
Molecular FormulaC25H22FN3O2
Molecular Weight415.47 g/mol
Exact Mass415.17
IUPAC Name2'-amino-2-(2-fluorophenyl)-3'-methyl-6-(3-methylphenyl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one
SMILESCc1cccc(-c2ccc3c(c2)C2(CC(c4ccccc4F)O3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C25H22FN3O2/c1-15-6-5-7-16(12-15)17-10-11-21-19(13-17)25(23(30)29(2)24(27)28-25)14-22(31-21)18-8-3-4-9-20(18)26/h3-13,22H,14H2,1-2H3,(H2,27,28)
InChIKeyYYNCJZYMVNLMSU-UHFFFAOYSA-N
XLogP4.31
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-3-methyl-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one
CID 45488104
3-[(4r)-2'-Amino-1',2,2-Trimethyl-5'-Oxo-1',2,3,5'-Tetrahydrospiro[chromene-4,4'-Imidazol]-6-Yl]benzonitrile
CID 46178810
(5r)-2-Amino-5-[4-(Difluoromethoxy)phenyl]-5-[4-Fluoro-3-(5-Fluoropent-1-Yn-1-Yl)phenyl]-3-Methyl-3,5-Dihydro-4h-Imidazol-4-One
CID 52948140
(4r)-2'-Amino-6-(3-Chlorophenyl)-1',2,2-Trimethyl-2,3-Dihydrospiro[chromene-4,4'-Imidazol]-5'(1'h)-One
CID 68322076
(4aS,10R,10aS)-2'-amino-8-(3-chloro-5-fluorophenyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one
CID 56948806
(2e,5r)-2-Imino-5-(3'-Methoxybiphenyl-3-Yl)-3-Methyl-5-Phenylimidazolidin-4-One
CID 70681036
2-Amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 11581511
(R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-(3-propylphenyl)-1H-imidazol-5(4H)-one
CID 16038399
5-Adamantan-1-yl-2-amino-5-(4-ethoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one
CID 16050551
5-Adamantan-1-yl-2-amino-5-(4-butoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one
CID 16050552
5-Adamantan-1-yl-2-amino-5-(3-ethyl-4-methoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one
CID 16050553
(R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(4-fluoro-3-(3-fluoropropoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 16113206

Frequently Asked Questions

What is the IUPAC name of 2'-amino-2-(2-fluorophenyl)-3'-methyl-6-(3-methylphenyl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one?
The IUPAC name of 2'-amino-2-(2-fluorophenyl)-3'-methyl-6-(3-methylphenyl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one (CID 91306419) is 2'-amino-2-(2-fluorophenyl)-3'-methyl-6-(3-methylphenyl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one.
What is the SMILES notation for 2'-amino-2-(2-fluorophenyl)-3'-methyl-6-(3-methylphenyl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one?
The canonical SMILES for 2'-amino-2-(2-fluorophenyl)-3'-methyl-6-(3-methylphenyl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one is Cc1cccc(-c2ccc3c(c2)C2(CC(c4ccccc4F)O3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of 2'-amino-2-(2-fluorophenyl)-3'-methyl-6-(3-methylphenyl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one?
The InChIKey is YYNCJZYMVNLMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O2/c1-15-6-5-7-16(12-15)17-10-11-21-19(13-17)25(23(30)29(2)24(27)28-25)14-22(31-21)18-8-3-4-9-20(18)26/h3-13,22H,14H2,1-2H3,(H2,27,28).
What are the key properties of 2'-amino-2-(2-fluorophenyl)-3'-methyl-6-(3-methylphenyl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one?
2'-amino-2-(2-fluorophenyl)-3'-methyl-6-(3-methylphenyl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one has a molecular weight of 415.47 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-2-(2-fluorophenyl)-3'-methyl-6-(3-methylphenyl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one is sourced from PubChem (CID 91306419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).