tert-butyl N-[(1R,2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopentyl]carbamate

C19H24BrN3O2 — CID 123428867

IUPACtert-butyl N-[(1R,2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C19H24BrN3O2/c1-19(2,3)25-18(24)23-15-6-4-5-14(15)17-21-11-16(22-17)12-7-9-13(20)10-8-12/h7-11,14-15H,4-6H2,1-3H3,(H,21,22)(H,23,24)/t14-,15+/m0/s1
InChIKeyUYMBKWHPCFPIFP-LSDHHAIUSA-N
MW406.32 g/mol
LogP5.00
Rot. Bonds3

About tert-butyl N-[(1R,2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopentyl]carbamate

tert-butyl N-[(1R,2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopentyl]carbamate (PubChem CID 123428867) has the molecular formula C19H24BrN3O2 and a molecular weight of 406.32 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopentyl]carbamate
PubChem CID123428867
Molecular FormulaC19H24BrN3O2
Molecular Weight406.32 g/mol
Exact Mass405.11
IUPAC Nametert-butyl N-[(1R,2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C19H24BrN3O2/c1-19(2,3)25-18(24)23-15-6-4-5-14(15)17-21-11-16(22-17)12-7-9-13(20)10-8-12/h7-11,14-15H,4-6H2,1-3H3,(H,21,22)(H,23,24)/t14-,15+/m0/s1
InChIKeyUYMBKWHPCFPIFP-LSDHHAIUSA-N
XLogP5.00
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;hydrobromide
CID 66720422
2-[8-[4-[2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]-1H-imidazol-5-yl]phenyl]-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]oxazol-2-yl]pyrrolidine-1-carboxylic acid
CID 71255655
tert-butyl N-[(1R)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 59347645
tert-butyl (2S)-2-[5-[4-[4-[[(1S,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentanecarbonyl]amino]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 58185357
tert-butyl N-[1-[2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2,5-dihydropyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 129019289
methyl 2-[5-[4-[4-[2-(2-methoxycarbonylcyclopentyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]cyclopentane-1-carboxylate
CID 123405809
tert-butyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-ethylpyrrolidine-1-carboxylate
CID 67992942
tert-butyl (1R,5R)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 70666415
tert-butyl (3R)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]morpholine-4-carboxylate
CID 59450054
4,4-difluoro-N-[2-[5-[4-[4-(2-methyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]cyclopentyl]cyclohexane-1-carboxamide
CID 123601711
tert-butyl (3S)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]piperazine-1-carboxylate
CID 59610838
methyl N-[(2S)-1-[2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 67496603

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopentyl]carbamate (CID 123428867) is tert-butyl N-[(1R,2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1ncc(-c2ccc(Br)cc2)[nH]1.
What is the InChIKey of tert-butyl N-[(1R,2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopentyl]carbamate?
The InChIKey is UYMBKWHPCFPIFP-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H24BrN3O2/c1-19(2,3)25-18(24)23-15-6-4-5-14(15)17-21-11-16(22-17)12-7-9-13(20)10-8-12/h7-11,14-15H,4-6H2,1-3H3,(H,21,22)(H,23,24)/t14-,15+/m0/s1.
What are the key properties of tert-butyl N-[(1R,2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopentyl]carbamate?
tert-butyl N-[(1R,2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopentyl]carbamate has a molecular weight of 406.32 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopentyl]carbamate is sourced from PubChem (CID 123428867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).