2-amino-5,5-bis(4-methoxyphenyl)-3-[(2-methylphenyl)methyl]imidazol-4-one

C25H25N3O3 — CID 86275289

IUPAC2-amino-5,5-bis(4-methoxyphenyl)-3-[(2-methylphenyl)methyl]imidazol-4-one
SMILESCOc1ccc(C2(c3ccc(OC)cc3)N=C(N)N(Cc3ccccc3C)C2=O)cc1
InChIInChI=1S/C25H25N3O3/c1-17-6-4-5-7-18(17)16-28-23(29)25(27-24(28)26,19-8-12-21(30-2)13-9-19)20-10-14-22(31-3)15-11-20/h4-15H,16H2,1-3H3,(H2,26,27)
InChIKeyVNVOIFTUZUGEIL-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.61
Rot. Bonds6

About 2-amino-5,5-bis(4-methoxyphenyl)-3-[(2-methylphenyl)methyl]imidazol-4-one

2-amino-5,5-bis(4-methoxyphenyl)-3-[(2-methylphenyl)methyl]imidazol-4-one (PubChem CID 86275289) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-amino-5,5-bis(4-methoxyphenyl)-3-[(2-methylphenyl)methyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5,5-bis(4-methoxyphenyl)-3-[(2-methylphenyl)methyl]imidazol-4-one
PubChem CID86275289
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name2-amino-5,5-bis(4-methoxyphenyl)-3-[(2-methylphenyl)methyl]imidazol-4-one
SMILESCOc1ccc(C2(c3ccc(OC)cc3)N=C(N)N(Cc3ccccc3C)C2=O)cc1
InChIInChI=1S/C25H25N3O3/c1-17-6-4-5-7-18(17)16-28-23(29)25(27-24(28)26,19-8-12-21(30-2)13-9-19)20-10-14-22(31-3)15-11-20/h4-15H,16H2,1-3H3,(H2,26,27)
InChIKeyVNVOIFTUZUGEIL-UHFFFAOYSA-N
XLogP3.61
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one
CID 17749735
(R)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one
CID 45488099
(S)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-3-methyl-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one
CID 45488104
(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
Idanpramine
CID 58521
(2e,5r)-2-Imino-5-(3'-Methoxybiphenyl-3-Yl)-3-Methyl-5-Phenylimidazolidin-4-One
CID 70681036
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3984307
2-Amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 11581511
2-Amino-6-(3'-methoxy-biphenyl-3-yl)-3,6-dimethyl-5,6-dihydro-3H-pyrimidin-4-one
CID 11594966
(R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-(3-propylphenyl)-1H-imidazol-5(4H)-one
CID 16038399
5-(1-Adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazol-4-one
CID 16050550
5-Adamantan-1-yl-2-amino-5-(4-ethoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one
CID 16050551

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-bis(4-methoxyphenyl)-3-[(2-methylphenyl)methyl]imidazol-4-one?
The IUPAC name of 2-amino-5,5-bis(4-methoxyphenyl)-3-[(2-methylphenyl)methyl]imidazol-4-one (CID 86275289) is 2-amino-5,5-bis(4-methoxyphenyl)-3-[(2-methylphenyl)methyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5,5-bis(4-methoxyphenyl)-3-[(2-methylphenyl)methyl]imidazol-4-one?
The canonical SMILES for 2-amino-5,5-bis(4-methoxyphenyl)-3-[(2-methylphenyl)methyl]imidazol-4-one is COc1ccc(C2(c3ccc(OC)cc3)N=C(N)N(Cc3ccccc3C)C2=O)cc1.
What is the InChIKey of 2-amino-5,5-bis(4-methoxyphenyl)-3-[(2-methylphenyl)methyl]imidazol-4-one?
The InChIKey is VNVOIFTUZUGEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17-6-4-5-7-18(17)16-28-23(29)25(27-24(28)26,19-8-12-21(30-2)13-9-19)20-10-14-22(31-3)15-11-20/h4-15H,16H2,1-3H3,(H2,26,27).
What are the key properties of 2-amino-5,5-bis(4-methoxyphenyl)-3-[(2-methylphenyl)methyl]imidazol-4-one?
2-amino-5,5-bis(4-methoxyphenyl)-3-[(2-methylphenyl)methyl]imidazol-4-one has a molecular weight of 415.49 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-bis(4-methoxyphenyl)-3-[(2-methylphenyl)methyl]imidazol-4-one is sourced from PubChem (CID 86275289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).