1-[4-(prop-2-ynylamino)phenyl]imidazolidin-2-one

C12H13N3O — CID 63952685

IUPAC1-[4-(prop-2-ynylamino)phenyl]imidazolidin-2-one
SMILESC#CCNc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C12H13N3O/c1-2-7-13-10-3-5-11(6-4-10)15-9-8-14-12(15)16/h1,3-6,13H,7-9H2,(H,14,16)
InChIKeyUFTILHHMNFVEBJ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.26
Rot. Bonds3

About 1-[4-(prop-2-ynylamino)phenyl]imidazolidin-2-one

1-[4-(prop-2-ynylamino)phenyl]imidazolidin-2-one (PubChem CID 63952685) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-[4-(prop-2-ynylamino)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(prop-2-ynylamino)phenyl]imidazolidin-2-one
PubChem CID63952685
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1-[4-(prop-2-ynylamino)phenyl]imidazolidin-2-one
SMILESC#CCNc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C12H13N3O/c1-2-7-13-10-3-5-11(6-4-10)15-9-8-14-12(15)16/h1,3-6,13H,7-9H2,(H,14,16)
InChIKeyUFTILHHMNFVEBJ-UHFFFAOYSA-N
XLogP1.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Fenuron
CID 7560
1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
CID 88638
Urea, N-(1-methylethyl)-N'-phenyl-
CID 29852
1-Ebio
CID 82320
1-Methyl-3-phenylurea
CID 13880
N-Cyclopentyl-N'-phenylurea
CID 25740
1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 1527023
N-phenylpyrrolidine-1-carboxamide
CID 791811
1-Ethyl-1,3-diphenylurea
CID 98685
N-Cyclohexyl-N'-(4-(dimethylamino)phenyl)urea
CID 844453
1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazol-2-one
CID 75070
1-Phenylimidazolidine-2,4-dione
CID 570576

Frequently Asked Questions

What is the IUPAC name of 1-[4-(prop-2-ynylamino)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-(prop-2-ynylamino)phenyl]imidazolidin-2-one (CID 63952685) is 1-[4-(prop-2-ynylamino)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-(prop-2-ynylamino)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-(prop-2-ynylamino)phenyl]imidazolidin-2-one is C#CCNc1ccc(N2CCNC2=O)cc1.
What is the InChIKey of 1-[4-(prop-2-ynylamino)phenyl]imidazolidin-2-one?
The InChIKey is UFTILHHMNFVEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-7-13-10-3-5-11(6-4-10)15-9-8-14-12(15)16/h1,3-6,13H,7-9H2,(H,14,16).
What are the key properties of 1-[4-(prop-2-ynylamino)phenyl]imidazolidin-2-one?
1-[4-(prop-2-ynylamino)phenyl]imidazolidin-2-one has a molecular weight of 215.26 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(prop-2-ynylamino)phenyl]imidazolidin-2-one is sourced from PubChem (CID 63952685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).