1-[4-(pyrrolidin-2-ylmethylamino)phenyl]imidazolidin-2-one

C14H20N4O — CID 106637474

IUPAC1-[4-(pyrrolidin-2-ylmethylamino)phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(NCC2CCCN2)cc1
InChIInChI=1S/C14H20N4O/c19-14-16-8-9-18(14)13-5-3-11(4-6-13)17-10-12-2-1-7-15-12/h3-6,12,15,17H,1-2,7-10H2,(H,16,19)
InChIKeyGPCGTJGBWQAIIY-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.38
Rot. Bonds4

About 1-[4-(pyrrolidin-2-ylmethylamino)phenyl]imidazolidin-2-one

1-[4-(pyrrolidin-2-ylmethylamino)phenyl]imidazolidin-2-one (PubChem CID 106637474) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[4-(pyrrolidin-2-ylmethylamino)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(pyrrolidin-2-ylmethylamino)phenyl]imidazolidin-2-one
PubChem CID106637474
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-[4-(pyrrolidin-2-ylmethylamino)phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(NCC2CCCN2)cc1
InChIInChI=1S/C14H20N4O/c19-14-16-8-9-18(14)13-5-3-11(4-6-13)17-10-12-2-1-7-15-12/h3-6,12,15,17H,1-2,7-10H2,(H,16,19)
InChIKeyGPCGTJGBWQAIIY-UHFFFAOYSA-N
XLogP1.38
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61365614
1-[4-(propylamino)phenyl]imidazolidin-2-one
CID 43724895
4-(pyrrolidin-2-ylmethylamino)benzoic acid
CID 106636873
1-[4-(prop-2-ynylamino)phenyl]imidazolidin-2-one
CID 63952685
N-[3-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119727665
4-phenyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 24936245
[4-(pyrrolidin-2-ylmethylamino)phenyl]urea
CID 106637716
1-[4-(1-cyclopentylethylamino)phenyl]imidazolidin-2-one
CID 62631563
1-[4-[(5-ethylfuran-2-yl)methylamino]phenyl]imidazolidin-2-one
CID 62344548
1-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]imidazolidin-2-one
CID 82824930
3-(2-oxo-1,3-diazinan-1-yl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119514860
1-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one
CID 113296281

Frequently Asked Questions

What is the IUPAC name of 1-[4-(pyrrolidin-2-ylmethylamino)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-(pyrrolidin-2-ylmethylamino)phenyl]imidazolidin-2-one (CID 106637474) is 1-[4-(pyrrolidin-2-ylmethylamino)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-(pyrrolidin-2-ylmethylamino)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-(pyrrolidin-2-ylmethylamino)phenyl]imidazolidin-2-one is O=C1NCCN1c1ccc(NCC2CCCN2)cc1.
What is the InChIKey of 1-[4-(pyrrolidin-2-ylmethylamino)phenyl]imidazolidin-2-one?
The InChIKey is GPCGTJGBWQAIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c19-14-16-8-9-18(14)13-5-3-11(4-6-13)17-10-12-2-1-7-15-12/h3-6,12,15,17H,1-2,7-10H2,(H,16,19).
What are the key properties of 1-[4-(pyrrolidin-2-ylmethylamino)phenyl]imidazolidin-2-one?
1-[4-(pyrrolidin-2-ylmethylamino)phenyl]imidazolidin-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(pyrrolidin-2-ylmethylamino)phenyl]imidazolidin-2-one is sourced from PubChem (CID 106637474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).