4-amino-5-(3-phenoxyphenyl)-1,5-dihydroimidazol-2-one

C15H13N3O2 — CID 79960984

IUPAC4-amino-5-(3-phenoxyphenyl)-1,5-dihydroimidazol-2-one
SMILESNC1=NC(=O)NC1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H13N3O2/c16-14-13(17-15(19)18-14)10-5-4-8-12(9-10)20-11-6-2-1-3-7-11/h1-9,13H,(H3,16,17,18,19)
InChIKeyMCQRGCSRGLABLT-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.60
Rot. Bonds3

About 4-amino-5-(3-phenoxyphenyl)-1,5-dihydroimidazol-2-one

4-amino-5-(3-phenoxyphenyl)-1,5-dihydroimidazol-2-one (PubChem CID 79960984) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-amino-5-(3-phenoxyphenyl)-1,5-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-(3-phenoxyphenyl)-1,5-dihydroimidazol-2-one
PubChem CID79960984
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-amino-5-(3-phenoxyphenyl)-1,5-dihydroimidazol-2-one
SMILESNC1=NC(=O)NC1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H13N3O2/c16-14-13(17-15(19)18-14)10-5-4-8-12(9-10)20-11-6-2-1-3-7-11/h1-9,13H,(H3,16,17,18,19)
InChIKeyMCQRGCSRGLABLT-UHFFFAOYSA-N
XLogP2.60
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-(3-cyclopropylphenyl)-1,5-dihydroimidazol-2-one
CID 79962290
4-amino-5-(3-chlorophenyl)-1,5-dihydroimidazol-2-one
CID 79960805
4-amino-5-(3-fluorophenyl)-1,5-dihydroimidazol-2-one
CID 79961894
(2R)-2-(3-phenoxyphenyl)azetidine
CID 171197153
4-amino-5-(4-methylphenyl)-1,5-dihydroimidazol-2-one
CID 79961557
4-amino-5-(2-fluorophenyl)-1,5-dihydroimidazol-2-one
CID 79961733
(5S)-1-methyl-5-(3-phenoxyphenyl)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione
CID 29132353
2,2-dichloro-3-(3-phenoxyphenyl)cyclobutan-1-one
CID 23176604
(3R)-3-(3-phenoxyphenyl)-1,2-oxazolidine
CID 166109931
6-amino-2-(3-phenoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 172562227
3-amino-4-[3-(3-phenoxyphenyl)pyrrolidin-1-yl]cyclobut-3-ene-1,2-dione
CID 167743489
[2-(3-phenoxyphenyl)cyclopropyl] formate
CID 57131825

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(3-phenoxyphenyl)-1,5-dihydroimidazol-2-one?
The IUPAC name of 4-amino-5-(3-phenoxyphenyl)-1,5-dihydroimidazol-2-one (CID 79960984) is 4-amino-5-(3-phenoxyphenyl)-1,5-dihydroimidazol-2-one.
What is the SMILES notation for 4-amino-5-(3-phenoxyphenyl)-1,5-dihydroimidazol-2-one?
The canonical SMILES for 4-amino-5-(3-phenoxyphenyl)-1,5-dihydroimidazol-2-one is NC1=NC(=O)NC1c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 4-amino-5-(3-phenoxyphenyl)-1,5-dihydroimidazol-2-one?
The InChIKey is MCQRGCSRGLABLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-14-13(17-15(19)18-14)10-5-4-8-12(9-10)20-11-6-2-1-3-7-11/h1-9,13H,(H3,16,17,18,19).
What are the key properties of 4-amino-5-(3-phenoxyphenyl)-1,5-dihydroimidazol-2-one?
4-amino-5-(3-phenoxyphenyl)-1,5-dihydroimidazol-2-one has a molecular weight of 267.29 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(3-phenoxyphenyl)-1,5-dihydroimidazol-2-one is sourced from PubChem (CID 79960984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).