(5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine

C15H23N3 — CID 23640797

IUPAC(5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)(C)CN1C(N)=NC[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H23N3/c1-15(2,3)11-18-13(10-17-14(18)16)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H2,16,17)/t13-/m0/s1
InChIKeyVVYXAONPDPSXQE-ZDUSSCGKSA-N
MW245.37 g/mol
LogP2.27
Rot. Bonds3

About (5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine

(5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine (PubChem CID 23640797) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is (5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine
PubChem CID23640797
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name(5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)(C)CN1C(N)=NC[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H23N3/c1-15(2,3)11-18-13(10-17-14(18)16)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H2,16,17)/t13-/m0/s1
InChIKeyVVYXAONPDPSXQE-ZDUSSCGKSA-N
XLogP2.27
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-benzyl-1-butyl-4,5-dihydroimidazol-2-amine
CID 23640807
(5S)-5-benzyl-1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine
CID 16682572
5-(2-phenylethyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 79496533
5-benzyl-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine
CID 79505655
5-(azidomethyl)-1-benzyl-4,5-dihydroimidazol-2-amine
CID 79505950
3,6-dibenzyl-7-ethyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole
CID 100961617
N-[(2S)-1-[(5S)-2-amino-5-benzyl-4,5-dihydroimidazol-1-yl]-3-phenylpropan-2-yl]-5-bromothiophene-2-sulfonamide
CID 66560151
1-benzyl-5-(2,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine
CID 79498143
1-benzyl-5-(5-methyloxolan-2-yl)-4,5-dihydroimidazol-2-amine
CID 82839109
(2R)-2-benzyl-1-methylaziridine
CID 87174257
1-(2-chlorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine
CID 79505797
1-benzyl-5-pentan-2-yl-4,5-dihydroimidazol-2-amine
CID 79506049

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine (CID 23640797) is (5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine is CC(C)(C)CN1C(N)=NC[C@@H]1Cc1ccccc1.
What is the InChIKey of (5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is VVYXAONPDPSXQE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3/c1-15(2,3)11-18-13(10-17-14(18)16)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H2,16,17)/t13-/m0/s1.
What are the key properties of (5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine?
(5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 245.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 23640797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).