1-(2-aminopropyl)-3-methyl-4-(1H-pyrrol-2-yl)imidazolidin-2-one

C11H18N4O — CID 116981336

IUPAC1-(2-aminopropyl)-3-methyl-4-(1H-pyrrol-2-yl)imidazolidin-2-one
SMILESCC(N)CN1CC(c2ccc[nH]2)N(C)C1=O
InChIInChI=1S/C11H18N4O/c1-8(12)6-15-7-10(14(2)11(15)16)9-4-3-5-13-9/h3-5,8,10,13H,6-7,12H2,1-2H3
InChIKeyYHBVFOKKDHZZFG-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.77
Rot. Bonds3

About 1-(2-aminopropyl)-3-methyl-4-(1H-pyrrol-2-yl)imidazolidin-2-one

1-(2-aminopropyl)-3-methyl-4-(1H-pyrrol-2-yl)imidazolidin-2-one (PubChem CID 116981336) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(2-aminopropyl)-3-methyl-4-(1H-pyrrol-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-aminopropyl)-3-methyl-4-(1H-pyrrol-2-yl)imidazolidin-2-one
PubChem CID116981336
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-(2-aminopropyl)-3-methyl-4-(1H-pyrrol-2-yl)imidazolidin-2-one
SMILESCC(N)CN1CC(c2ccc[nH]2)N(C)C1=O
InChIInChI=1S/C11H18N4O/c1-8(12)6-15-7-10(14(2)11(15)16)9-4-3-5-13-9/h3-5,8,10,13H,6-7,12H2,1-2H3
InChIKeyYHBVFOKKDHZZFG-UHFFFAOYSA-N
XLogP0.77
TPSA65.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

dimethyl[(1H-pyrrol-2-yl)methyl]amine
CID 260796
1-(Piperidin-2-ylmethyl)-3-pyridin-3-ylimidazolidin-2-one
CID 46881467
1-Cyclohexyl-3-(pyridin-2-ylmethyl)urea
CID 2931220
US10343992, Example 225
CID 122590470
US10343992, Example 266
CID 134363573
Imidodicarbonic diamide, N,2-dimethyl-N'-(2-pyridinylmethyl)-
CID 3059240
1-[(1-Methylpyrrol-2-yl)methyl]-3-phenylurea
CID 4564328
Pyrrole, 2-((N-acetyl-N-ethylamino)methyl)-
CID 119986
1-(1H-pyrrol-2-yl)ethan-1-amine
CID 16641592
(2E)-2-(nitromethylidene)-1-(1H-pyrrol-2-ylmethyl)imidazolidine
CID 14009808
1-Propyl-3-[1-(pyridin-2-yl)ethyl]urea
CID 17182591
2-(1-methylpyrrol-2-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide
CID 51084274

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropyl)-3-methyl-4-(1H-pyrrol-2-yl)imidazolidin-2-one?
The IUPAC name of 1-(2-aminopropyl)-3-methyl-4-(1H-pyrrol-2-yl)imidazolidin-2-one (CID 116981336) is 1-(2-aminopropyl)-3-methyl-4-(1H-pyrrol-2-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-aminopropyl)-3-methyl-4-(1H-pyrrol-2-yl)imidazolidin-2-one?
The canonical SMILES for 1-(2-aminopropyl)-3-methyl-4-(1H-pyrrol-2-yl)imidazolidin-2-one is CC(N)CN1CC(c2ccc[nH]2)N(C)C1=O.
What is the InChIKey of 1-(2-aminopropyl)-3-methyl-4-(1H-pyrrol-2-yl)imidazolidin-2-one?
The InChIKey is YHBVFOKKDHZZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(12)6-15-7-10(14(2)11(15)16)9-4-3-5-13-9/h3-5,8,10,13H,6-7,12H2,1-2H3.
What are the key properties of 1-(2-aminopropyl)-3-methyl-4-(1H-pyrrol-2-yl)imidazolidin-2-one?
1-(2-aminopropyl)-3-methyl-4-(1H-pyrrol-2-yl)imidazolidin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropyl)-3-methyl-4-(1H-pyrrol-2-yl)imidazolidin-2-one is sourced from PubChem (CID 116981336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).