(5S)-1-butyl-5-phenyl-4,5-dihydroimidazol-2-amine

C13H19N3 — CID 23640809

IUPAC(5S)-1-butyl-5-phenyl-4,5-dihydroimidazol-2-amine
SMILESCCCCN1C(N)=NC[C@@H]1c1ccccc1
InChIInChI=1S/C13H19N3/c1-2-3-9-16-12(10-15-13(16)14)11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3,(H2,14,15)/t12-/m1/s1
InChIKeyQIAMABVYXJQNAJ-GFCCVEGCSA-N
MW217.32 g/mol
LogP2.16
Rot. Bonds4

About (5S)-1-butyl-5-phenyl-4,5-dihydroimidazol-2-amine

(5S)-1-butyl-5-phenyl-4,5-dihydroimidazol-2-amine (PubChem CID 23640809) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (5S)-1-butyl-5-phenyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-1-butyl-5-phenyl-4,5-dihydroimidazol-2-amine
PubChem CID23640809
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(5S)-1-butyl-5-phenyl-4,5-dihydroimidazol-2-amine
SMILESCCCCN1C(N)=NC[C@@H]1c1ccccc1
InChIInChI=1S/C13H19N3/c1-2-3-9-16-12(10-15-13(16)14)11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3,(H2,14,15)/t12-/m1/s1
InChIKeyQIAMABVYXJQNAJ-GFCCVEGCSA-N
XLogP2.16
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bethanidine
CID 2368
4-(Phenylmethyl)-1-piperazinecarboximidamide
CID 160903
1H-Imidazole, 4,5-dihydro-5-methyl-2-phenyl-
CID 70319
(2-Amino-1-phenylethyl)dimethylamine
CID 241652
1-(Guanidino)-17-(N1-(benzyl)guanidino)-9-azaheptadecane tris(trifluoroacetate)
CID 44221519
1,2-Dibenzylguanidine
CID 33142
1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-phenylbutyl)-
CID 417287
2-Benzyl-1-(3-pyrrolidin-1-ylpropyl)guanidine
CID 9882679
1H-Imidazol-2-amine, 4,5-dihydro-4-phenyl-
CID 11298130
1-(2-Phenylethyl)-4,5-dihydroimidazol-2-amine
CID 17928801
1-[2-(3-Fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine
CID 135386427
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine
CID 135386625

Frequently Asked Questions

What is the IUPAC name of (5S)-1-butyl-5-phenyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-1-butyl-5-phenyl-4,5-dihydroimidazol-2-amine (CID 23640809) is (5S)-1-butyl-5-phenyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-1-butyl-5-phenyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-1-butyl-5-phenyl-4,5-dihydroimidazol-2-amine is CCCCN1C(N)=NC[C@@H]1c1ccccc1.
What is the InChIKey of (5S)-1-butyl-5-phenyl-4,5-dihydroimidazol-2-amine?
The InChIKey is QIAMABVYXJQNAJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19N3/c1-2-3-9-16-12(10-15-13(16)14)11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3,(H2,14,15)/t12-/m1/s1.
What are the key properties of (5S)-1-butyl-5-phenyl-4,5-dihydroimidazol-2-amine?
(5S)-1-butyl-5-phenyl-4,5-dihydroimidazol-2-amine has a molecular weight of 217.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-butyl-5-phenyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 23640809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).