N-[2-[2-(diethylamino)ethoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C12H27IN4O — CID 120972096

IUPACN-[2-[2-(diethylamino)ethoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCCN(CC)CCOCCNC1=NCCN1C.I
InChIInChI=1S/C12H26N4O.HI/c1-4-16(5-2)9-11-17-10-7-14-12-13-6-8-15(12)3;/h4-11H2,1-3H3,(H,13,14);1H
InChIKeyRFGWLZYFWSODGJ-UHFFFAOYSA-N
MW370.28 g/mol
LogP0.85
Rot. Bonds8

About N-[2-[2-(diethylamino)ethoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-[2-[2-(diethylamino)ethoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120972096) has the molecular formula C12H27IN4O and a molecular weight of 370.28 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120972096
Molecular FormulaC12H27IN4O
Molecular Weight370.28 g/mol
Exact Mass370.12
IUPAC NameN-[2-[2-(diethylamino)ethoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCCN(CC)CCOCCNC1=NCCN1C.I
InChIInChI=1S/C12H26N4O.HI/c1-4-16(5-2)9-11-17-10-7-14-12-13-6-8-15(12)3;/h4-11H2,1-3H3,(H,13,14);1H
InChIKeyRFGWLZYFWSODGJ-UHFFFAOYSA-N
XLogP0.85
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[2-(diethylamino)ethoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120972096) is N-[2-[2-(diethylamino)ethoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[2-[2-(diethylamino)ethoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[2-[2-(diethylamino)ethoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is CCN(CC)CCOCCNC1=NCCN1C.I.
What is the InChIKey of N-[2-[2-(diethylamino)ethoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is RFGWLZYFWSODGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O.HI/c1-4-16(5-2)9-11-17-10-7-14-12-13-6-8-15(12)3;/h4-11H2,1-3H3,(H,13,14);1H.
What are the key properties of N-[2-[2-(diethylamino)ethoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[2-[2-(diethylamino)ethoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 370.28 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)ethoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120972096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).