3-methyl-1-[3-(methylamino)propyl]-4-(1H-pyrrol-2-yl)imidazolidin-2-one

C12H20N4O — CID 116981486

IUPAC3-methyl-1-[3-(methylamino)propyl]-4-(1H-pyrrol-2-yl)imidazolidin-2-one
SMILESCNCCCN1CC(c2ccc[nH]2)N(C)C1=O
InChIInChI=1S/C12H20N4O/c1-13-6-4-8-16-9-11(15(2)12(16)17)10-5-3-7-14-10/h3,5,7,11,13-14H,4,6,8-9H2,1-2H3
InChIKeyKHMDUXGLNZJCSC-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.03
Rot. Bonds5

About 3-methyl-1-[3-(methylamino)propyl]-4-(1H-pyrrol-2-yl)imidazolidin-2-one

3-methyl-1-[3-(methylamino)propyl]-4-(1H-pyrrol-2-yl)imidazolidin-2-one (PubChem CID 116981486) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-methyl-1-[3-(methylamino)propyl]-4-(1H-pyrrol-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name3-methyl-1-[3-(methylamino)propyl]-4-(1H-pyrrol-2-yl)imidazolidin-2-one
PubChem CID116981486
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-methyl-1-[3-(methylamino)propyl]-4-(1H-pyrrol-2-yl)imidazolidin-2-one
SMILESCNCCCN1CC(c2ccc[nH]2)N(C)C1=O
InChIInChI=1S/C12H20N4O/c1-13-6-4-8-16-9-11(15(2)12(16)17)10-5-3-7-14-10/h3,5,7,11,13-14H,4,6,8-9H2,1-2H3
InChIKeyKHMDUXGLNZJCSC-UHFFFAOYSA-N
XLogP1.03
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(methylamino)propyl]-4-(1H-pyrrol-2-yl)imidazolidin-2-one?
The IUPAC name of 3-methyl-1-[3-(methylamino)propyl]-4-(1H-pyrrol-2-yl)imidazolidin-2-one (CID 116981486) is 3-methyl-1-[3-(methylamino)propyl]-4-(1H-pyrrol-2-yl)imidazolidin-2-one.
What is the SMILES notation for 3-methyl-1-[3-(methylamino)propyl]-4-(1H-pyrrol-2-yl)imidazolidin-2-one?
The canonical SMILES for 3-methyl-1-[3-(methylamino)propyl]-4-(1H-pyrrol-2-yl)imidazolidin-2-one is CNCCCN1CC(c2ccc[nH]2)N(C)C1=O.
What is the InChIKey of 3-methyl-1-[3-(methylamino)propyl]-4-(1H-pyrrol-2-yl)imidazolidin-2-one?
The InChIKey is KHMDUXGLNZJCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-13-6-4-8-16-9-11(15(2)12(16)17)10-5-3-7-14-10/h3,5,7,11,13-14H,4,6,8-9H2,1-2H3.
What are the key properties of 3-methyl-1-[3-(methylamino)propyl]-4-(1H-pyrrol-2-yl)imidazolidin-2-one?
3-methyl-1-[3-(methylamino)propyl]-4-(1H-pyrrol-2-yl)imidazolidin-2-one has a molecular weight of 236.32 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(methylamino)propyl]-4-(1H-pyrrol-2-yl)imidazolidin-2-one is sourced from PubChem (CID 116981486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).