1-(3-chloro-4-pyridinyl)-4-[5-(methoxymethyl)-4,5-dihydro-1H-imidazol-2-yl]piperazine;hydroiodide

C14H21ClIN5O — CID 166326281

IUPAC1-(3-chloro-4-pyridinyl)-4-[5-(methoxymethyl)-4,5-dihydro-1H-imidazol-2-yl]piperazine;hydroiodide
SMILESCOCC1CN=C(N2CCN(c3ccncc3Cl)CC2)N1.I
InChIInChI=1S/C14H20ClN5O.HI/c1-21-10-11-8-17-14(18-11)20-6-4-19(5-7-20)13-2-3-16-9-12(13)15;/h2-3,9,11H,4-8,10H2,1H3,(H,17,18);1H
InChIKeyPAIRPSCJNOFAPE-UHFFFAOYSA-N
MW437.71 g/mol
LogP1.45
Rot. Bonds3

About 1-(3-chloro-4-pyridinyl)-4-[5-(methoxymethyl)-4,5-dihydro-1H-imidazol-2-yl]piperazine;hydroiodide

1-(3-chloro-4-pyridinyl)-4-[5-(methoxymethyl)-4,5-dihydro-1H-imidazol-2-yl]piperazine;hydroiodide (PubChem CID 166326281) has the molecular formula C14H21ClIN5O and a molecular weight of 437.71 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-4-[5-(methoxymethyl)-4,5-dihydro-1H-imidazol-2-yl]piperazine;hydroiodide.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-4-[5-(methoxymethyl)-4,5-dihydro-1H-imidazol-2-yl]piperazine;hydroiodide
PubChem CID166326281
Molecular FormulaC14H21ClIN5O
Molecular Weight437.71 g/mol
Exact Mass437.05
IUPAC Name1-(3-chloro-4-pyridinyl)-4-[5-(methoxymethyl)-4,5-dihydro-1H-imidazol-2-yl]piperazine;hydroiodide
SMILESCOCC1CN=C(N2CCN(c3ccncc3Cl)CC2)N1.I
InChIInChI=1S/C14H20ClN5O.HI/c1-21-10-11-8-17-14(18-11)20-6-4-19(5-7-20)13-2-3-16-9-12(13)15;/h2-3,9,11H,4-8,10H2,1H3,(H,17,18);1H
InChIKeyPAIRPSCJNOFAPE-UHFFFAOYSA-N
XLogP1.45
TPSA52.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.71
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-4-[5-(methoxymethyl)-4,5-dihydro-1H-imidazol-2-yl]piperazine;hydroiodide?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-4-[5-(methoxymethyl)-4,5-dihydro-1H-imidazol-2-yl]piperazine;hydroiodide (CID 166326281) is 1-(3-chloro-4-pyridinyl)-4-[5-(methoxymethyl)-4,5-dihydro-1H-imidazol-2-yl]piperazine;hydroiodide.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-4-[5-(methoxymethyl)-4,5-dihydro-1H-imidazol-2-yl]piperazine;hydroiodide?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-4-[5-(methoxymethyl)-4,5-dihydro-1H-imidazol-2-yl]piperazine;hydroiodide is COCC1CN=C(N2CCN(c3ccncc3Cl)CC2)N1.I.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-4-[5-(methoxymethyl)-4,5-dihydro-1H-imidazol-2-yl]piperazine;hydroiodide?
The InChIKey is PAIRPSCJNOFAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O.HI/c1-21-10-11-8-17-14(18-11)20-6-4-19(5-7-20)13-2-3-16-9-12(13)15;/h2-3,9,11H,4-8,10H2,1H3,(H,17,18);1H.
What are the key properties of 1-(3-chloro-4-pyridinyl)-4-[5-(methoxymethyl)-4,5-dihydro-1H-imidazol-2-yl]piperazine;hydroiodide?
1-(3-chloro-4-pyridinyl)-4-[5-(methoxymethyl)-4,5-dihydro-1H-imidazol-2-yl]piperazine;hydroiodide has a molecular weight of 437.71 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-4-[5-(methoxymethyl)-4,5-dihydro-1H-imidazol-2-yl]piperazine;hydroiodide is sourced from PubChem (CID 166326281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).