2-[4-(5-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]cyclopropane-1-carboxylic acid

C11H11BrN2O3S — CID 116979765

IUPAC2-[4-(5-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1N1CC(c2ccc(Br)s2)NC1=O
InChIInChI=1S/C11H11BrN2O3S/c12-9-2-1-8(18-9)6-4-14(11(17)13-6)7-3-5(7)10(15)16/h1-2,5-7H,3-4H2,(H,13,17)(H,15,16)
InChIKeyMLHGVLROVIGZQH-UHFFFAOYSA-N
MW331.19 g/mol
LogP2.05
Rot. Bonds3

About 2-[4-(5-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]cyclopropane-1-carboxylic acid

2-[4-(5-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]cyclopropane-1-carboxylic acid (PubChem CID 116979765) has the molecular formula C11H11BrN2O3S and a molecular weight of 331.19 g/mol. Its IUPAC name is 2-[4-(5-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(5-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]cyclopropane-1-carboxylic acid
PubChem CID116979765
Molecular FormulaC11H11BrN2O3S
Molecular Weight331.19 g/mol
Exact Mass329.97
IUPAC Name2-[4-(5-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1N1CC(c2ccc(Br)s2)NC1=O
InChIInChI=1S/C11H11BrN2O3S/c12-9-2-1-8(18-9)6-4-14(11(17)13-6)7-3-5(7)10(15)16/h1-2,5-7H,3-4H2,(H,13,17)(H,15,16)
InChIKeyMLHGVLROVIGZQH-UHFFFAOYSA-N
XLogP2.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]cyclopropane-1-carboxylic acid
CID 116979766
4-(5-bromothiophen-2-yl)-1-(2-hydroxyethyl)imidazolidin-2-one
CID 116979352
lithium;trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropane-1-carboxylic acid;hydroxide;hydrate
CID 172858770
2-(4-ethyl-2-oxoimidazolidin-1-yl)cyclopropane-1-carboxylic acid
CID 116979754
(5S)-5-(5-bromothiophen-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxylic acid
CID 156570566
2-(5-bromothiophen-2-yl)-6-oxo-1-propan-2-ylpiperidine-3-carboxylic acid
CID 63379605
4-(5-bromothiophen-2-yl)-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one
CID 116979075
4-(5-bromothiophen-2-yl)piperidine-1-carboxylic acid
CID 66867881
cis-(1R,2S)-2-[[(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 146106667
3-(5-bromothiophen-2-yl)-5-methyl-1,4-thiazepane
CID 66234884
1-[(5-bromothiophen-2-yl)methyl]piperidine-3,4-dicarboxylic acid
CID 112568140
2-[(5-bromothiophen-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 116927002

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-(5-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]cyclopropane-1-carboxylic acid (CID 116979765) is 2-[4-(5-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(5-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-(5-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1N1CC(c2ccc(Br)s2)NC1=O.
What is the InChIKey of 2-[4-(5-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]cyclopropane-1-carboxylic acid?
The InChIKey is MLHGVLROVIGZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3S/c12-9-2-1-8(18-9)6-4-14(11(17)13-6)7-3-5(7)10(15)16/h1-2,5-7H,3-4H2,(H,13,17)(H,15,16).
What are the key properties of 2-[4-(5-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]cyclopropane-1-carboxylic acid?
2-[4-(5-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]cyclopropane-1-carboxylic acid has a molecular weight of 331.19 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116979765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).