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

C13H20IN3 — CID 120971314

IUPAC1-methyl-N-[2-(4-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCc1ccc(CCNC2=NCCN2C)cc1.I
InChIInChI=1S/C13H19N3.HI/c1-11-3-5-12(6-4-11)7-8-14-13-15-9-10-16(13)2;/h3-6H,7-10H2,1-2H3,(H,14,15);1H
InChIKeySGGFGQZQMHWNNP-UHFFFAOYSA-N
MW345.23 g/mol
LogP2.05
Rot. Bonds3

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

1-methyl-N-[2-(4-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120971314) has the molecular formula C13H20IN3 and a molecular weight of 345.23 g/mol. Its IUPAC name is 1-methyl-N-[2-(4-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name1-methyl-N-[2-(4-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120971314
Molecular FormulaC13H20IN3
Molecular Weight345.23 g/mol
Exact Mass345.07
IUPAC Name1-methyl-N-[2-(4-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCc1ccc(CCNC2=NCCN2C)cc1.I
InChIInChI=1S/C13H19N3.HI/c1-11-3-5-12(6-4-11)7-8-14-13-15-9-10-16(13)2;/h3-6H,7-10H2,1-2H3,(H,14,15);1H
InChIKeySGGFGQZQMHWNNP-UHFFFAOYSA-N
XLogP2.05
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971012
4-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide
CID 120969031
N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971833
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970919
N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970887
4-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide
CID 120969489
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971253
N-[2-(2-methoxyphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969157
1-methyl-N-[2-(3-nitrophenyl)ethyl]-4,5-dihydroimidazol-2-amine
CID 120971867
methyl 3-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzoate
CID 120971927
1-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969999
1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969753

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(4-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of 1-methyl-N-[2-(4-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120971314) is 1-methyl-N-[2-(4-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for 1-methyl-N-[2-(4-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for 1-methyl-N-[2-(4-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide is Cc1ccc(CCNC2=NCCN2C)cc1.I.
What is the InChIKey of 1-methyl-N-[2-(4-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is SGGFGQZQMHWNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3.HI/c1-11-3-5-12(6-4-11)7-8-14-13-15-9-10-16(13)2;/h3-6H,7-10H2,1-2H3,(H,14,15);1H.
What are the key properties of 1-methyl-N-[2-(4-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
1-methyl-N-[2-(4-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 345.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(4-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120971314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).