(5S)-1-[2-(3-bromophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine

C12H16BrN3 — CID 135387194

IUPAC(5S)-1-[2-(3-bromophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine
SMILESC[C@H]1CN=C(N)N1CCc1cccc(Br)c1
InChIInChI=1S/C12H16BrN3/c1-9-8-15-12(14)16(9)6-5-10-3-2-4-11(13)7-10/h2-4,7,9H,5-6,8H2,1H3,(H2,14,15)/t9-/m0/s1
InChIKeyFETKBPWFUQWBPU-VIFPVBQESA-N
MW282.19 g/mol
LogP2.01
Rot. Bonds3

About (5S)-1-[2-(3-bromophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine

(5S)-1-[2-(3-bromophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 135387194) has the molecular formula C12H16BrN3 and a molecular weight of 282.19 g/mol. Its IUPAC name is (5S)-1-[2-(3-bromophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-1-[2-(3-bromophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine
PubChem CID135387194
Molecular FormulaC12H16BrN3
Molecular Weight282.19 g/mol
Exact Mass281.05
IUPAC Name(5S)-1-[2-(3-bromophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine
SMILESC[C@H]1CN=C(N)N1CCc1cccc(Br)c1
InChIInChI=1S/C12H16BrN3/c1-9-8-15-12(14)16(9)6-5-10-3-2-4-11(13)7-10/h2-4,7,9H,5-6,8H2,1H3,(H2,14,15)/t9-/m0/s1
InChIKeyFETKBPWFUQWBPU-VIFPVBQESA-N
XLogP2.01
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-[2-(3-bromophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-1-[2-(3-bromophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine (CID 135387194) is (5S)-1-[2-(3-bromophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-1-[2-(3-bromophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-1-[2-(3-bromophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine is C[C@H]1CN=C(N)N1CCc1cccc(Br)c1.
What is the InChIKey of (5S)-1-[2-(3-bromophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is FETKBPWFUQWBPU-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16BrN3/c1-9-8-15-12(14)16(9)6-5-10-3-2-4-11(13)7-10/h2-4,7,9H,5-6,8H2,1H3,(H2,14,15)/t9-/m0/s1.
What are the key properties of (5S)-1-[2-(3-bromophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine?
(5S)-1-[2-(3-bromophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 282.19 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[2-(3-bromophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 135387194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).