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

C14H21N3 — CID 23640807

IUPAC(5S)-5-benzyl-1-butyl-4,5-dihydroimidazol-2-amine
SMILESCCCCN1C(N)=NC[C@@H]1Cc1ccccc1
InChIInChI=1S/C14H21N3/c1-2-3-9-17-13(11-16-14(17)15)10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3,(H2,15,16)/t13-/m0/s1
InChIKeyHPZLGBFCHUVQNX-ZDUSSCGKSA-N
MW231.34 g/mol
LogP2.03
Rot. Bonds5

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

(5S)-5-benzyl-1-butyl-4,5-dihydroimidazol-2-amine (PubChem CID 23640807) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (5S)-5-benzyl-1-butyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-benzyl-1-butyl-4,5-dihydroimidazol-2-amine
PubChem CID23640807
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name(5S)-5-benzyl-1-butyl-4,5-dihydroimidazol-2-amine
SMILESCCCCN1C(N)=NC[C@@H]1Cc1ccccc1
InChIInChI=1S/C14H21N3/c1-2-3-9-17-13(11-16-14(17)15)10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3,(H2,15,16)/t13-/m0/s1
InChIKeyHPZLGBFCHUVQNX-ZDUSSCGKSA-N
XLogP2.03
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Imidazoline, 2-benzyl-1-methyl-
CID 47570
1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-phenylbutyl)-
CID 417287
1H-Imidazol-2-amine, 4,5-dihydro-4-phenyl-
CID 11298130
1-(2-Phenylethyl)-4,5-dihydroimidazol-2-amine
CID 17928801
(5S)-5-[4-[(4S)-4-butyl-3-heptyl-2-iminoimidazolidin-1-yl]butyl]-1-[2-[3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-2-amine
CID 118735441
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
(5S)-1-[2-(3-bromophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine
CID 135387194
(1-Amino-3-phenylpropan-2-yl)dimethylamine
CID 3415764
Deximafen
CID 163316
5-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 10537295
[(5S)-1-[2-(1-naphthyl)ethyl]-5-sec-butyl-2-imidazolin-2-yl]amine
CID 23640878

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-1-butyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-benzyl-1-butyl-4,5-dihydroimidazol-2-amine (CID 23640807) is (5S)-5-benzyl-1-butyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-benzyl-1-butyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-benzyl-1-butyl-4,5-dihydroimidazol-2-amine is CCCCN1C(N)=NC[C@@H]1Cc1ccccc1.
What is the InChIKey of (5S)-5-benzyl-1-butyl-4,5-dihydroimidazol-2-amine?
The InChIKey is HPZLGBFCHUVQNX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-3-9-17-13(11-16-14(17)15)10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3,(H2,15,16)/t13-/m0/s1.
What are the key properties of (5S)-5-benzyl-1-butyl-4,5-dihydroimidazol-2-amine?
(5S)-5-benzyl-1-butyl-4,5-dihydroimidazol-2-amine has a molecular weight of 231.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-1-butyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 23640807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).