4-(5-bromothiophen-2-yl)-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one

C12H16BrN3OS — CID 116979075

IUPAC4-(5-bromothiophen-2-yl)-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one
SMILESO=C1NC(c2ccc(Br)s2)CN1CC1CCCN1
InChIInChI=1S/C12H16BrN3OS/c13-11-4-3-10(18-11)9-7-16(12(17)15-9)6-8-2-1-5-14-8/h3-4,8-9,14H,1-2,5-7H2,(H,15,17)
InChIKeyXCQGEFVRCLUDJT-UHFFFAOYSA-N
MW330.25 g/mol
LogP2.33
Rot. Bonds3

About 4-(5-bromothiophen-2-yl)-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one

4-(5-bromothiophen-2-yl)-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one (PubChem CID 116979075) has the molecular formula C12H16BrN3OS and a molecular weight of 330.25 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one
PubChem CID116979075
Molecular FormulaC12H16BrN3OS
Molecular Weight330.25 g/mol
Exact Mass329.02
IUPAC Name4-(5-bromothiophen-2-yl)-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one
SMILESO=C1NC(c2ccc(Br)s2)CN1CC1CCCN1
InChIInChI=1S/C12H16BrN3OS/c13-11-4-3-10(18-11)9-7-16(12(17)15-9)6-8-2-1-5-14-8/h3-4,8-9,14H,1-2,5-7H2,(H,15,17)
InChIKeyXCQGEFVRCLUDJT-UHFFFAOYSA-N
XLogP2.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(piperidin-2-ylmethyl)-4-pyridin-4-ylimidazolidin-2-one
CID 116979146
(2R)-2-(5-bromothiophen-2-yl)piperidine
CID 7048175
4-tert-butyl-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one
CID 116979067
1-(piperidin-2-ylmethyl)-4-propylimidazolidin-2-one
CID 116979133
4-(1-methylpiperidin-4-yl)-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one
CID 116979093
2-[(5-bromothiophen-2-yl)methyl]piperidine
CID 63086364
5-bromo-N-[[(2R)-pyrrolidin-2-yl]methyl]thiophene-2-sulfonamide
CID 94479341
5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one
CID 102819741
1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one
CID 94889645
5-bromo-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 119513668
2-[(5-bromothiophen-2-yl)methoxymethyl]pyrrolidine
CID 62335092
4-(1-methylpyrrolidin-3-yl)-1-(piperidin-2-ylmethyl)imidazolidin-2-one
CID 116979152

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one?
The IUPAC name of 4-(5-bromothiophen-2-yl)-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one (CID 116979075) is 4-(5-bromothiophen-2-yl)-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one is O=C1NC(c2ccc(Br)s2)CN1CC1CCCN1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one?
The InChIKey is XCQGEFVRCLUDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3OS/c13-11-4-3-10(18-11)9-7-16(12(17)15-9)6-8-2-1-5-14-8/h3-4,8-9,14H,1-2,5-7H2,(H,15,17).
What are the key properties of 4-(5-bromothiophen-2-yl)-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one?
4-(5-bromothiophen-2-yl)-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one has a molecular weight of 330.25 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one is sourced from PubChem (CID 116979075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).