1-(3-aminobutyl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one

C11H16BrN3OS — CID 116978759

IUPAC1-(3-aminobutyl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one
SMILESCC(N)CCN1CC(c2cc(Br)cs2)NC1=O
InChIInChI=1S/C11H16BrN3OS/c1-7(13)2-3-15-5-9(14-11(15)16)10-4-8(12)6-17-10/h4,6-7,9H,2-3,5,13H2,1H3,(H,14,16)
InChIKeyBQNRBOHZQSMRFJ-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.31
Rot. Bonds4

About 1-(3-aminobutyl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one

1-(3-aminobutyl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one (PubChem CID 116978759) has the molecular formula C11H16BrN3OS and a molecular weight of 318.24 g/mol. Its IUPAC name is 1-(3-aminobutyl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-aminobutyl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one
PubChem CID116978759
Molecular FormulaC11H16BrN3OS
Molecular Weight318.24 g/mol
Exact Mass317.02
IUPAC Name1-(3-aminobutyl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one
SMILESCC(N)CCN1CC(c2cc(Br)cs2)NC1=O
InChIInChI=1S/C11H16BrN3OS/c1-7(13)2-3-15-5-9(14-11(15)16)10-4-8(12)6-17-10/h4,6-7,9H,2-3,5,13H2,1H3,(H,14,16)
InChIKeyBQNRBOHZQSMRFJ-UHFFFAOYSA-N
XLogP2.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethyl-[2-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]propan-2-yl]azanium
CID 53350242
N-[(4-bromothiophen-2-yl)methyl]-4-methyl-1,4-diazepane-1-carboxamide
CID 53504946
1-[1-(2-Thiophen-2-ylethyl)piperidin-4-yl]imidazolidin-2-one
CID 53622057
1-Cyclopentyl-3-methyl-3-[(thiophen-2-yl)methyl]urea
CID 38210636
N-(Propan-2-YL)-4-[(thiophen-2-YL)methyl]-1,4-diazepane-1-carboxamide
CID 47236053
2-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide
CID 134796572
(2S)-N-cyclopentyl-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 38153751
1-[2-[Methyl(1-thiophen-2-ylethyl)amino]acetyl]imidazolidin-2-one
CID 47126748
1-[2-(5-Bromothiophen-2-yl)ethyl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 71930296
N-ethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidine-1-carboxamide
CID 84596146
(2S)-N-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 92500047
(4S)-2-(4-bromothiophen-2-yl)-N-dodecyl-1,3-thiazolidine-4-carboxamide
CID 155814031

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobutyl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one?
The IUPAC name of 1-(3-aminobutyl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one (CID 116978759) is 1-(3-aminobutyl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-aminobutyl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one?
The canonical SMILES for 1-(3-aminobutyl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one is CC(N)CCN1CC(c2cc(Br)cs2)NC1=O.
What is the InChIKey of 1-(3-aminobutyl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one?
The InChIKey is BQNRBOHZQSMRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3OS/c1-7(13)2-3-15-5-9(14-11(15)16)10-4-8(12)6-17-10/h4,6-7,9H,2-3,5,13H2,1H3,(H,14,16).
What are the key properties of 1-(3-aminobutyl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one?
1-(3-aminobutyl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one has a molecular weight of 318.24 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminobutyl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one is sourced from PubChem (CID 116978759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).