tert-butyl 2-(5-bromo-1H-imidazol-2-yl)cyclopentane-1-carboxylate

C13H19BrN2O2 — CID 129108064

IUPACtert-butyl 2-(5-bromo-1H-imidazol-2-yl)cyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CCCC1c1ncc(Br)[nH]1
InChIInChI=1S/C13H19BrN2O2/c1-13(2,3)18-12(17)9-6-4-5-8(9)11-15-7-10(14)16-11/h7-9H,4-6H2,1-3H3,(H,15,16)
InChIKeyQQRLNTGOKPYMRZ-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.40
Rot. Bonds2

About tert-butyl 2-(5-bromo-1H-imidazol-2-yl)cyclopentane-1-carboxylate

tert-butyl 2-(5-bromo-1H-imidazol-2-yl)cyclopentane-1-carboxylate (PubChem CID 129108064) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is tert-butyl 2-(5-bromo-1H-imidazol-2-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(5-bromo-1H-imidazol-2-yl)cyclopentane-1-carboxylate
PubChem CID129108064
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Nametert-butyl 2-(5-bromo-1H-imidazol-2-yl)cyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CCCC1c1ncc(Br)[nH]1
InChIInChI=1S/C13H19BrN2O2/c1-13(2,3)18-12(17)9-6-4-5-8(9)11-15-7-10(14)16-11/h7-9H,4-6H2,1-3H3,(H,15,16)
InChIKeyQQRLNTGOKPYMRZ-UHFFFAOYSA-N
XLogP3.40
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-(5-bromo-1H-imidazol-2-yl)cyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylate
CID 75499270
tert-butyl 2-(5-bromo-1H-imidazol-2-yl)-1,2,2a,3,4,4a,5,6,7,8-decahydrocyclobuta[i]indene-8-carboxylate
CID 123394453
tert-butyl 7-(1H-imidazol-2-yl)heptanoate
CID 130373685
methyl (3S,4S)-3-[1-[(2S,4S)-2-(5-bromo-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethyl]-4-methylhexanoate
CID 153448334
ethyl 2-(5-bromo-1H-imidazol-2-yl)-3,3-dicyclopropylpropanoate
CID 168849050
2-[[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 65897904
2-[(1H-imidazol-2-ylmethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 65898099
cis-methyl (1R,2S)-2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylate
CID 97803303
trans-methyl (1S,2S)-2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylate
CID 97803304
trans-methyl (1R,2R)-2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylate
CID 97803305
cis-methyl (1S,2R)-2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylate
CID 97803306
3-(1H-imidazol-2-yl)-6-methylheptanoic acid
CID 112487136

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-bromo-1H-imidazol-2-yl)cyclopentane-1-carboxylate?
The IUPAC name of tert-butyl 2-(5-bromo-1H-imidazol-2-yl)cyclopentane-1-carboxylate (CID 129108064) is tert-butyl 2-(5-bromo-1H-imidazol-2-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(5-bromo-1H-imidazol-2-yl)cyclopentane-1-carboxylate?
The canonical SMILES for tert-butyl 2-(5-bromo-1H-imidazol-2-yl)cyclopentane-1-carboxylate is CC(C)(C)OC(=O)C1CCCC1c1ncc(Br)[nH]1.
What is the InChIKey of tert-butyl 2-(5-bromo-1H-imidazol-2-yl)cyclopentane-1-carboxylate?
The InChIKey is QQRLNTGOKPYMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-13(2,3)18-12(17)9-6-4-5-8(9)11-15-7-10(14)16-11/h7-9H,4-6H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl 2-(5-bromo-1H-imidazol-2-yl)cyclopentane-1-carboxylate?
tert-butyl 2-(5-bromo-1H-imidazol-2-yl)cyclopentane-1-carboxylate has a molecular weight of 315.21 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-bromo-1H-imidazol-2-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 129108064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).