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

C12H17IN4O — CID 120969159

IUPAC4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide
SMILESCC1CN=C(NCc2ccc(C(N)=O)cc2)N1.I
InChIInChI=1S/C12H16N4O.HI/c1-8-6-14-12(16-8)15-7-9-2-4-10(5-3-9)11(13)17;/h2-5,8H,6-7H2,1H3,(H2,13,17)(H2,14,15,16);1H
InChIKeyMKANLANUGDBWHA-UHFFFAOYSA-N
MW360.20 g/mol
LogP0.84
Rot. Bonds3

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

4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide (PubChem CID 120969159) has the molecular formula C12H17IN4O and a molecular weight of 360.20 g/mol. Its IUPAC name is 4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide.

Molecular Properties

Compound Name4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide
PubChem CID120969159
Molecular FormulaC12H17IN4O
Molecular Weight360.20 g/mol
Exact Mass360.04
IUPAC Name4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide
SMILESCC1CN=C(NCc2ccc(C(N)=O)cc2)N1.I
InChIInChI=1S/C12H16N4O.HI/c1-8-6-14-12(16-8)15-7-9-2-4-10(5-3-9)11(13)17;/h2-5,8H,6-7H2,1H3,(H2,13,17)(H2,14,15,16);1H
InChIKeyMKANLANUGDBWHA-UHFFFAOYSA-N
XLogP0.84
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-[[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 120972179
N-[(4-bromo-3-methylphenyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 122098500
3-bromo-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide
CID 174258294
4-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzamide;hydroiodide
CID 120969161
4-[[(4-methylcyclohexyl)amino]methyl]benzamide
CID 28579759
5-methyl-N-[(5-methyl-3-pyridinyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 120971881
1-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]azetidin-2-one
CID 120972725
2-methylazetidine;4-methylbenzamide
CID 67940263
2-methyl-5-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]-1H-pyrimidin-6-one;hydroiodide
CID 120972076
4-[(dicyclopropylmethylamino)methyl]benzamide
CID 43234872
4-[[(3-methylcyclohexyl)amino]methyl]benzamide
CID 43215986
3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]thiolan-3-ol;hydroiodide
CID 120970944

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide?
The IUPAC name of 4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide (CID 120969159) is 4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide.
What is the SMILES notation for 4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide?
The canonical SMILES for 4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide is CC1CN=C(NCc2ccc(C(N)=O)cc2)N1.I.
What is the InChIKey of 4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide?
The InChIKey is MKANLANUGDBWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O.HI/c1-8-6-14-12(16-8)15-7-9-2-4-10(5-3-9)11(13)17;/h2-5,8H,6-7H2,1H3,(H2,13,17)(H2,14,15,16);1H.
What are the key properties of 4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide?
4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide has a molecular weight of 360.20 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide is sourced from PubChem (CID 120969159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).