4-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzamide;hydroiodide

C12H17IN4O — CID 120969161

IUPAC4-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzamide;hydroiodide
SMILESCN1CCN=C1NCc1ccc(C(N)=O)cc1.I
InChIInChI=1S/C12H16N4O.HI/c1-16-7-6-14-12(16)15-8-9-2-4-10(5-3-9)11(13)17;/h2-5H,6-8H2,1H3,(H2,13,17)(H,14,15);1H
InChIKeyUOJCJCBRSNQMFE-UHFFFAOYSA-N
MW360.20 g/mol
LogP0.79
Rot. Bonds3

About 4-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzamide;hydroiodide

4-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzamide;hydroiodide (PubChem CID 120969161) has the molecular formula C12H17IN4O and a molecular weight of 360.20 g/mol. Its IUPAC name is 4-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzamide;hydroiodide.

Molecular Properties

Compound Name4-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzamide;hydroiodide
PubChem CID120969161
Molecular FormulaC12H17IN4O
Molecular Weight360.20 g/mol
Exact Mass360.04
IUPAC Name4-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzamide;hydroiodide
SMILESCN1CCN=C1NCc1ccc(C(N)=O)cc1.I
InChIInChI=1S/C12H16N4O.HI/c1-16-7-6-14-12(16)15-8-9-2-4-10(5-3-9)11(13)17;/h2-5H,6-8H2,1H3,(H2,13,17)(H,14,15);1H
InChIKeyUOJCJCBRSNQMFE-UHFFFAOYSA-N
XLogP0.79
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]furan-2-carboxamide
CID 120970949
1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969753
1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120969271
N-[(4-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969673
N-[5-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]-2-pyridinyl]acetamide
CID 120972497
2-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenoxy]acetamide;hydroiodide
CID 120971038
1-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969999
1-methyl-N-[(4-phenylmethoxyphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969601
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969741
1-methyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydrobromide
CID 166193259
N-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]methanesulfonamide;hydroiodide
CID 120969422
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970093

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzamide;hydroiodide?
The IUPAC name of 4-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzamide;hydroiodide (CID 120969161) is 4-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzamide;hydroiodide.
What is the SMILES notation for 4-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzamide;hydroiodide?
The canonical SMILES for 4-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzamide;hydroiodide is CN1CCN=C1NCc1ccc(C(N)=O)cc1.I.
What is the InChIKey of 4-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzamide;hydroiodide?
The InChIKey is UOJCJCBRSNQMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O.HI/c1-16-7-6-14-12(16)15-8-9-2-4-10(5-3-9)11(13)17;/h2-5H,6-8H2,1H3,(H2,13,17)(H,14,15);1H.
What are the key properties of 4-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzamide;hydroiodide?
4-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzamide;hydroiodide has a molecular weight of 360.20 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzamide;hydroiodide is sourced from PubChem (CID 120969161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).