(5S)-1-[2-(6-chloro-3-pyridinyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine

C11H15ClN4 — CID 135387247

IUPAC(5S)-1-[2-(6-chloro-3-pyridinyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine
SMILESC[C@H]1CN=C(N)N1CCc1ccc(Cl)nc1
InChIInChI=1S/C11H15ClN4/c1-8-6-15-11(13)16(8)5-4-9-2-3-10(12)14-7-9/h2-3,7-8H,4-6H2,1H3,(H2,13,15)/t8-/m0/s1
InChIKeyRUBKLGVUMFJSBC-QMMMGPOBSA-N
MW238.72 g/mol
LogP1.30
Rot. Bonds3

About (5S)-1-[2-(6-chloro-3-pyridinyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine

(5S)-1-[2-(6-chloro-3-pyridinyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 135387247) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is (5S)-1-[2-(6-chloro-3-pyridinyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-1-[2-(6-chloro-3-pyridinyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine
PubChem CID135387247
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC Name(5S)-1-[2-(6-chloro-3-pyridinyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine
SMILESC[C@H]1CN=C(N)N1CCc1ccc(Cl)nc1
InChIInChI=1S/C11H15ClN4/c1-8-6-15-11(13)16(8)5-4-9-2-3-10(12)14-7-9/h2-3,7-8H,4-6H2,1H3,(H2,13,15)/t8-/m0/s1
InChIKeyRUBKLGVUMFJSBC-QMMMGPOBSA-N
XLogP1.30
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-[2-(6-chloro-3-pyridinyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-1-[2-(6-chloro-3-pyridinyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine (CID 135387247) is (5S)-1-[2-(6-chloro-3-pyridinyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-1-[2-(6-chloro-3-pyridinyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-1-[2-(6-chloro-3-pyridinyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine is C[C@H]1CN=C(N)N1CCc1ccc(Cl)nc1.
What is the InChIKey of (5S)-1-[2-(6-chloro-3-pyridinyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is RUBKLGVUMFJSBC-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15ClN4/c1-8-6-15-11(13)16(8)5-4-9-2-3-10(12)14-7-9/h2-3,7-8H,4-6H2,1H3,(H2,13,15)/t8-/m0/s1.
What are the key properties of (5S)-1-[2-(6-chloro-3-pyridinyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine?
(5S)-1-[2-(6-chloro-3-pyridinyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 238.72 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[2-(6-chloro-3-pyridinyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 135387247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).