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

C16H20BrN3O2 — CID 59347645

IUPACtert-butyl N-[(1R)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C16H20BrN3O2/c1-10(19-15(21)22-16(2,3)4)14-18-9-13(20-14)11-5-7-12(17)8-6-11/h5-10H,1-4H3,(H,18,20)(H,19,21)/t10-/m1/s1
InChIKeyGYVCSDFBBDGGPW-SNVBAGLBSA-N
MW366.26 g/mol
LogP4.42
Rot. Bonds3

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

tert-butyl N-[(1R)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate (PubChem CID 59347645) has the molecular formula C16H20BrN3O2 and a molecular weight of 366.26 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate
PubChem CID59347645
Molecular FormulaC16H20BrN3O2
Molecular Weight366.26 g/mol
Exact Mass365.07
IUPAC Nametert-butyl N-[(1R)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C16H20BrN3O2/c1-10(19-15(21)22-16(2,3)4)14-18-9-13(20-14)11-5-7-12(17)8-6-11/h5-10H,1-4H3,(H,18,20)(H,19,21)/t10-/m1/s1
InChIKeyGYVCSDFBBDGGPW-SNVBAGLBSA-N
XLogP4.42
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R)-1-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]ethyl]carbamate
CID 70877773
methyl N-[(2S,3R)-1-[[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]amino]-3-methoxy-1-oxobutan-2-yl]carbamate
CID 130401000
tert-butyl N-[1-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]carbamate
CID 173480498
(2S)-N-[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]-2-ethoxypropanamide
CID 99791201
tert-butyl N-[4-[5-(4-bromophenyl)-1H-imidazol-2-yl]butyl]carbamate
CID 91372126
methyl 3-[[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamoyl]benzoate
CID 99791199
tert-butyl N-[(1R)-1-(4-bromophenyl)ethyl]carbamate
CID 52987808
[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid
CID 141368702
tert-butyl (2S)-2-[5-[2-[4-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-imidazol-5-yl]phenyl]pyrimidin-5-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 71125759
tert-butyl N-[(1S)-1-(4-bromophenyl)ethyl]carbamate;sulfane
CID 158971973
tert-butyl (2R)-2-[5-[4-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-imidazol-5-yl]pyrazin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 24810541
N-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 91651576

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate (CID 59347645) is tert-butyl N-[(1R)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)c1ncc(-c2ccc(Br)cc2)[nH]1.
What is the InChIKey of tert-butyl N-[(1R)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate?
The InChIKey is GYVCSDFBBDGGPW-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20BrN3O2/c1-10(19-15(21)22-16(2,3)4)14-18-9-13(20-14)11-5-7-12(17)8-6-11/h5-10H,1-4H3,(H,18,20)(H,19,21)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate?
tert-butyl N-[(1R)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate has a molecular weight of 366.26 g/mol, XLogP of 4.42, 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)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 59347645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).