[(4R)-2-amino-3-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol

C12H16BrN3O — CID 135386683

IUPAC[(4R)-2-amino-3-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol
SMILESNC1=NC[C@H](CO)N1CCc1cccc(Br)c1
InChIInChI=1S/C12H16BrN3O/c13-10-3-1-2-9(6-10)4-5-16-11(8-17)7-15-12(16)14/h1-3,6,11,17H,4-5,7-8H2,(H2,14,15)/t11-/m1/s1
InChIKeyRKDCCECDTARGNW-LLVKDONJSA-N
MW298.18 g/mol
LogP0.98
Rot. Bonds4

About [(4R)-2-amino-3-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol

[(4R)-2-amino-3-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol (PubChem CID 135386683) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is [(4R)-2-amino-3-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol.

Molecular Properties

Compound Name[(4R)-2-amino-3-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol
PubChem CID135386683
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name[(4R)-2-amino-3-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol
SMILESNC1=NC[C@H](CO)N1CCc1cccc(Br)c1
InChIInChI=1S/C12H16BrN3O/c13-10-3-1-2-9(6-10)4-5-16-11(8-17)7-15-12(16)14/h1-3,6,11,17H,4-5,7-8H2,(H2,14,15)/t11-/m1/s1
InChIKeyRKDCCECDTARGNW-LLVKDONJSA-N
XLogP0.98
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4R)-2-amino-3-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol?
The IUPAC name of [(4R)-2-amino-3-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol (CID 135386683) is [(4R)-2-amino-3-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol.
What is the SMILES notation for [(4R)-2-amino-3-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol?
The canonical SMILES for [(4R)-2-amino-3-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol is NC1=NC[C@H](CO)N1CCc1cccc(Br)c1.
What is the InChIKey of [(4R)-2-amino-3-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol?
The InChIKey is RKDCCECDTARGNW-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16BrN3O/c13-10-3-1-2-9(6-10)4-5-16-11(8-17)7-15-12(16)14/h1-3,6,11,17H,4-5,7-8H2,(H2,14,15)/t11-/m1/s1.
What are the key properties of [(4R)-2-amino-3-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol?
[(4R)-2-amino-3-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol has a molecular weight of 298.18 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2-amino-3-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol is sourced from PubChem (CID 135386683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).