(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-amine

C5H12N4 — CID 25194895

IUPAC(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESNCC[C@H]1CN=C(N)N1
InChIInChI=1S/C5H12N4/c6-2-1-4-3-8-5(7)9-4/h4H,1-3,6H2,(H3,7,8,9)/t4-/m0/s1
InChIKeyBEVLBOZRNWAWDO-BYPYZUCNSA-N
MW128.18 g/mol
LogP-1.38
Rot. Bonds2

About (5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-amine

(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 25194895) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is (5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID25194895
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC Name(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESNCC[C@H]1CN=C(N)N1
InChIInChI=1S/C5H12N4/c6-2-1-4-3-8-5(7)9-4/h4H,1-3,6H2,(H3,7,8,9)/t4-/m0/s1
InChIKeyBEVLBOZRNWAWDO-BYPYZUCNSA-N
XLogP-1.38
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of (5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-amine (CID 25194895) is (5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for (5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for (5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-amine is NCC[C@H]1CN=C(N)N1.
What is the InChIKey of (5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is BEVLBOZRNWAWDO-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H12N4/c6-2-1-4-3-8-5(7)9-4/h4H,1-3,6H2,(H3,7,8,9)/t4-/m0/s1.
What are the key properties of (5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-amine?
(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 128.18 g/mol, XLogP of -1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 25194895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).