5-[3-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-1,2-dihydroimidazol-2-yl]-1,3-dimethylpyridin-2-one

C15H21N5O — CID 134315911

IUPAC5-[3-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-1,2-dihydroimidazol-2-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(C2NC=CN2C/C(N)=C/C=C\N)cn(C)c1=O
InChIInChI=1S/C15H21N5O/c1-11-8-12(9-19(2)15(11)21)14-18-6-7-20(14)10-13(17)4-3-5-16/h3-9,14,18H,10,16-17H2,1-2H3/b5-3-,13-4-
InChIKeyRRMFZJLMUCWUKC-FCTXBAKWSA-N
MW287.37 g/mol
LogP0.38
Rot. Bonds4

About 5-[3-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-1,2-dihydroimidazol-2-yl]-1,3-dimethylpyridin-2-one

5-[3-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-1,2-dihydroimidazol-2-yl]-1,3-dimethylpyridin-2-one (PubChem CID 134315911) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 5-[3-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-1,2-dihydroimidazol-2-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[3-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-1,2-dihydroimidazol-2-yl]-1,3-dimethylpyridin-2-one
PubChem CID134315911
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name5-[3-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-1,2-dihydroimidazol-2-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(C2NC=CN2C/C(N)=C/C=C\N)cn(C)c1=O
InChIInChI=1S/C15H21N5O/c1-11-8-12(9-19(2)15(11)21)14-18-6-7-20(14)10-13(17)4-3-5-16/h3-9,14,18H,10,16-17H2,1-2H3/b5-3-,13-4-
InChIKeyRRMFZJLMUCWUKC-FCTXBAKWSA-N
XLogP0.38
TPSA89.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-1,2-dihydroimidazol-2-yl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[3-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-1,2-dihydroimidazol-2-yl]-1,3-dimethylpyridin-2-one (CID 134315911) is 5-[3-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-1,2-dihydroimidazol-2-yl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[3-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-1,2-dihydroimidazol-2-yl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[3-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-1,2-dihydroimidazol-2-yl]-1,3-dimethylpyridin-2-one is Cc1cc(C2NC=CN2C/C(N)=C/C=C\N)cn(C)c1=O.
What is the InChIKey of 5-[3-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-1,2-dihydroimidazol-2-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is RRMFZJLMUCWUKC-FCTXBAKWSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-8-12(9-19(2)15(11)21)14-18-6-7-20(14)10-13(17)4-3-5-16/h3-9,14,18H,10,16-17H2,1-2H3/b5-3-,13-4-.
What are the key properties of 5-[3-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-1,2-dihydroimidazol-2-yl]-1,3-dimethylpyridin-2-one?
5-[3-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-1,2-dihydroimidazol-2-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 287.37 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-1,2-dihydroimidazol-2-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 134315911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).