4-amino-5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-dihydroimidazol-2-one

C10H15N3O — CID 174359788

IUPAC4-amino-5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-dihydroimidazol-2-one
SMILESC=C/C(=C\c1[nH]c(=O)[nH]c1N)C(C)C
InChIInChI=1S/C10H15N3O/c1-4-7(6(2)3)5-8-9(11)13-10(14)12-8/h4-6H,1,11H2,2-3H3,(H2,12,13,14)/b7-5+
InChIKeyKEQUNIWDZOLCPF-FNORWQNLSA-N
MW193.25 g/mol
LogP1.51
Rot. Bonds3

About 4-amino-5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-dihydroimidazol-2-one

4-amino-5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-dihydroimidazol-2-one (PubChem CID 174359788) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-amino-5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-dihydroimidazol-2-one
PubChem CID174359788
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-amino-5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-dihydroimidazol-2-one
SMILESC=C/C(=C\c1[nH]c(=O)[nH]c1N)C(C)C
InChIInChI=1S/C10H15N3O/c1-4-7(6(2)3)5-8-9(11)13-10(14)12-8/h4-6H,1,11H2,2-3H3,(H2,12,13,14)/b7-5+
InChIKeyKEQUNIWDZOLCPF-FNORWQNLSA-N
XLogP1.51
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-amino-5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-dihydroimidazol-2-one (CID 174359788) is 4-amino-5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-amino-5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-amino-5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-dihydroimidazol-2-one is C=C/C(=C\c1[nH]c(=O)[nH]c1N)C(C)C.
What is the InChIKey of 4-amino-5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-dihydroimidazol-2-one?
The InChIKey is KEQUNIWDZOLCPF-FNORWQNLSA-N. The full InChI is InChI=1S/C10H15N3O/c1-4-7(6(2)3)5-8-9(11)13-10(14)12-8/h4-6H,1,11H2,2-3H3,(H2,12,13,14)/b7-5+.
What are the key properties of 4-amino-5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-dihydroimidazol-2-one?
4-amino-5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-dihydroimidazol-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 174359788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).