[(1R)-1-phenylethyl] N-[3-(4-bromophenyl)imidazol-4-yl]carbamate

C18H16BrN3O2 — CID 71267077

IUPAC[(1R)-1-phenylethyl] N-[3-(4-bromophenyl)imidazol-4-yl]carbamate
SMILESC[C@@H](OC(=O)Nc1cncn1-c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C18H16BrN3O2/c1-13(14-5-3-2-4-6-14)24-18(23)21-17-11-20-12-22(17)16-9-7-15(19)8-10-16/h2-13H,1H3,(H,21,23)/t13-/m1/s1
InChIKeyOMPAMVSEBYAHSD-CYBMUJFWSA-N
MW386.25 g/mol
LogP4.94
Rot. Bonds4

About [(1R)-1-phenylethyl] N-[3-(4-bromophenyl)imidazol-4-yl]carbamate

[(1R)-1-phenylethyl] N-[3-(4-bromophenyl)imidazol-4-yl]carbamate (PubChem CID 71267077) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is [(1R)-1-phenylethyl] N-[3-(4-bromophenyl)imidazol-4-yl]carbamate.

Molecular Properties

Compound Name[(1R)-1-phenylethyl] N-[3-(4-bromophenyl)imidazol-4-yl]carbamate
PubChem CID71267077
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name[(1R)-1-phenylethyl] N-[3-(4-bromophenyl)imidazol-4-yl]carbamate
SMILESC[C@@H](OC(=O)Nc1cncn1-c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C18H16BrN3O2/c1-13(14-5-3-2-4-6-14)24-18(23)21-17-11-20-12-22(17)16-9-7-15(19)8-10-16/h2-13H,1H3,(H,21,23)/t13-/m1/s1
InChIKeyOMPAMVSEBYAHSD-CYBMUJFWSA-N
XLogP4.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenylethyl N-(5-bromo-3-methylimidazol-4-yl)carbamate
CID 78057666
1-phenylethyl N-[1-(4-bromophenyl)-4-(trifluoromethyl)pyrazol-5-yl]carbamate
CID 90427469
1-phenylethyl N-(4-bromo-1-methylpyrazol-5-yl)carbamate
CID 70819175
[(1R)-1-phenylethyl] N-[5-(4-bromophenyl)-3-methyltriazol-4-yl]carbamate
CID 71266457
[(1R)-1-phenylethyl] N-[2-(4-bromophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbamate
CID 71265555
methyl 1-[4-[4-[5-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]imidazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 71265854
1-phenylethyl N-[5-(4-bromophenyl)-2H-triazol-4-yl]carbamate
CID 123921013
1-phenylethyl N-[4-(4-bromophenyl)-1,2,5-thiadiazol-3-yl]carbamate
CID 78057685
[1-[4-[4-[5-[[(1R)-1-phenylethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropyl] formate
CID 89448806
1-[4-[4-[1-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-3-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 70856566
ethyl 2-[4-[4-[5-[[(1R)-1-phenylethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]acetate
CID 118060316
1-phenylethyl N-(2-chlorophenyl)carbamate
CID 174361176

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenylethyl] N-[3-(4-bromophenyl)imidazol-4-yl]carbamate?
The IUPAC name of [(1R)-1-phenylethyl] N-[3-(4-bromophenyl)imidazol-4-yl]carbamate (CID 71267077) is [(1R)-1-phenylethyl] N-[3-(4-bromophenyl)imidazol-4-yl]carbamate.
What is the SMILES notation for [(1R)-1-phenylethyl] N-[3-(4-bromophenyl)imidazol-4-yl]carbamate?
The canonical SMILES for [(1R)-1-phenylethyl] N-[3-(4-bromophenyl)imidazol-4-yl]carbamate is C[C@@H](OC(=O)Nc1cncn1-c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of [(1R)-1-phenylethyl] N-[3-(4-bromophenyl)imidazol-4-yl]carbamate?
The InChIKey is OMPAMVSEBYAHSD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-13(14-5-3-2-4-6-14)24-18(23)21-17-11-20-12-22(17)16-9-7-15(19)8-10-16/h2-13H,1H3,(H,21,23)/t13-/m1/s1.
What are the key properties of [(1R)-1-phenylethyl] N-[3-(4-bromophenyl)imidazol-4-yl]carbamate?
[(1R)-1-phenylethyl] N-[3-(4-bromophenyl)imidazol-4-yl]carbamate has a molecular weight of 386.25 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylethyl] N-[3-(4-bromophenyl)imidazol-4-yl]carbamate is sourced from PubChem (CID 71267077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).