(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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Related Compounds

1-[2-(3-Bromophenyl)ethyl]-4,5-dihydroimidazol-2-amine
CID 135386448
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine
CID 135386625
[(4R)-2-amino-3-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol
CID 135386683
(5S)-5-benzyl-1-ethyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine
CID 25102548
(5S)-5-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine
CID 135386347
(5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine
CID 23640797
(5S)-5-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine
CID 23640802
(5S)-5-benzyl-1-butyl-4,5-dihydroimidazol-2-amine
CID 23640807
(5R)-5-butyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine
CID 23640808
(5S)-1-butyl-5-phenyl-4,5-dihydroimidazol-2-amine
CID 23640809
(5S)-N,N,5-trimethyl-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine
CID 25102711
(5S)-5-[4-[(4R)-4-benzyl-3-[2-(3-bromophenyl)ethyl]-2-iminoimidazolidin-1-yl]butyl]-1-(4-methylpentyl)-4,5-dihydroimidazol-2-amine
CID 76321256

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).