(5S)-5-(4-aminobutyl)-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine

C19H26N4 — CID 23640811

IUPAC(5S)-5-(4-aminobutyl)-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine
SMILESNCCCC[C@H]1CN=C(N)N1CCc1cccc2ccccc12
InChIInChI=1S/C19H26N4/c20-12-4-3-9-17-14-22-19(21)23(17)13-11-16-8-5-7-15-6-1-2-10-18(15)16/h1-2,5-8,10,17H,3-4,9,11-14,20H2,(H2,21,22)/t17-/m0/s1
InChIKeyJGPNZFVKMAYJNO-KRWDZBQOSA-N
MW310.44 g/mol
LogP2.51
Rot. Bonds7

About (5S)-5-(4-aminobutyl)-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine

(5S)-5-(4-aminobutyl)-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 23640811) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is (5S)-5-(4-aminobutyl)-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-(4-aminobutyl)-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine
PubChem CID23640811
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name(5S)-5-(4-aminobutyl)-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine
SMILESNCCCC[C@H]1CN=C(N)N1CCc1cccc2ccccc12
InChIInChI=1S/C19H26N4/c20-12-4-3-9-17-14-22-19(21)23(17)13-11-16-8-5-7-15-6-1-2-10-18(15)16/h1-2,5-8,10,17H,3-4,9,11-14,20H2,(H2,21,22)/t17-/m0/s1
InChIKeyJGPNZFVKMAYJNO-KRWDZBQOSA-N
XLogP2.51
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-aminobutyl)-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-(4-aminobutyl)-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine (CID 23640811) is (5S)-5-(4-aminobutyl)-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-(4-aminobutyl)-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-(4-aminobutyl)-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine is NCCCC[C@H]1CN=C(N)N1CCc1cccc2ccccc12.
What is the InChIKey of (5S)-5-(4-aminobutyl)-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is JGPNZFVKMAYJNO-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N4/c20-12-4-3-9-17-14-22-19(21)23(17)13-11-16-8-5-7-15-6-1-2-10-18(15)16/h1-2,5-8,10,17H,3-4,9,11-14,20H2,(H2,21,22)/t17-/m0/s1.
What are the key properties of (5S)-5-(4-aminobutyl)-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine?
(5S)-5-(4-aminobutyl)-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 310.44 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-aminobutyl)-1-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 23640811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).