2-amino-3-[[3-(cyclopropen-1-yl)phenyl]methyl]-5-[(3-methoxyphenyl)methyl]-5-methylimidazol-4-one

C22H23N3O2 — CID 145462137

IUPAC2-amino-3-[[3-(cyclopropen-1-yl)phenyl]methyl]-5-[(3-methoxyphenyl)methyl]-5-methylimidazol-4-one
SMILESCOc1cccc(CC2(C)N=C(N)N(Cc3cccc(C4=CC4)c3)C2=O)c1
InChIInChI=1S/C22H23N3O2/c1-22(13-15-5-4-8-19(12-15)27-2)20(26)25(21(23)24-22)14-16-6-3-7-18(11-16)17-9-10-17/h3-9,11-12H,10,13-14H2,1-2H3,(H2,23,24)
InChIKeyAGVICEWBEKWVCC-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.14
Rot. Bonds6

About 2-amino-3-[[3-(cyclopropen-1-yl)phenyl]methyl]-5-[(3-methoxyphenyl)methyl]-5-methylimidazol-4-one

2-amino-3-[[3-(cyclopropen-1-yl)phenyl]methyl]-5-[(3-methoxyphenyl)methyl]-5-methylimidazol-4-one (PubChem CID 145462137) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-amino-3-[[3-(cyclopropen-1-yl)phenyl]methyl]-5-[(3-methoxyphenyl)methyl]-5-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-3-[[3-(cyclopropen-1-yl)phenyl]methyl]-5-[(3-methoxyphenyl)methyl]-5-methylimidazol-4-one
PubChem CID145462137
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-amino-3-[[3-(cyclopropen-1-yl)phenyl]methyl]-5-[(3-methoxyphenyl)methyl]-5-methylimidazol-4-one
SMILESCOc1cccc(CC2(C)N=C(N)N(Cc3cccc(C4=CC4)c3)C2=O)c1
InChIInChI=1S/C22H23N3O2/c1-22(13-15-5-4-8-19(12-15)27-2)20(26)25(21(23)24-22)14-16-6-3-7-18(11-16)17-9-10-17/h3-9,11-12H,10,13-14H2,1-2H3,(H2,23,24)
InChIKeyAGVICEWBEKWVCC-UHFFFAOYSA-N
XLogP3.14
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-[[3-(cyclopropen-1-yl)phenyl]methyl]-5-[(3-methoxyphenyl)methyl]-5-methylimidazol-4-one with MolForge

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Related Compounds

2-[2-amino-1-[(3-hydroxyphenyl)methyl]-4-methyl-5-oxoimidazol-4-yl]-N-(cyclopropylmethyl)acetamide
CID 70334994
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1-[(3-methoxyphenyl)methyl]piperazine-2,6-dione
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4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione
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1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
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(5R)-5-(1,3-benzodioxol-5-yl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7691995
3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]benzonitrile
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2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 11594966
4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]azetidin-2-one
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1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one
CID 116624332

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[3-(cyclopropen-1-yl)phenyl]methyl]-5-[(3-methoxyphenyl)methyl]-5-methylimidazol-4-one?
The IUPAC name of 2-amino-3-[[3-(cyclopropen-1-yl)phenyl]methyl]-5-[(3-methoxyphenyl)methyl]-5-methylimidazol-4-one (CID 145462137) is 2-amino-3-[[3-(cyclopropen-1-yl)phenyl]methyl]-5-[(3-methoxyphenyl)methyl]-5-methylimidazol-4-one.
What is the SMILES notation for 2-amino-3-[[3-(cyclopropen-1-yl)phenyl]methyl]-5-[(3-methoxyphenyl)methyl]-5-methylimidazol-4-one?
The canonical SMILES for 2-amino-3-[[3-(cyclopropen-1-yl)phenyl]methyl]-5-[(3-methoxyphenyl)methyl]-5-methylimidazol-4-one is COc1cccc(CC2(C)N=C(N)N(Cc3cccc(C4=CC4)c3)C2=O)c1.
What is the InChIKey of 2-amino-3-[[3-(cyclopropen-1-yl)phenyl]methyl]-5-[(3-methoxyphenyl)methyl]-5-methylimidazol-4-one?
The InChIKey is AGVICEWBEKWVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-22(13-15-5-4-8-19(12-15)27-2)20(26)25(21(23)24-22)14-16-6-3-7-18(11-16)17-9-10-17/h3-9,11-12H,10,13-14H2,1-2H3,(H2,23,24).
What are the key properties of 2-amino-3-[[3-(cyclopropen-1-yl)phenyl]methyl]-5-[(3-methoxyphenyl)methyl]-5-methylimidazol-4-one?
2-amino-3-[[3-(cyclopropen-1-yl)phenyl]methyl]-5-[(3-methoxyphenyl)methyl]-5-methylimidazol-4-one has a molecular weight of 361.45 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[3-(cyclopropen-1-yl)phenyl]methyl]-5-[(3-methoxyphenyl)methyl]-5-methylimidazol-4-one is sourced from PubChem (CID 145462137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).