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

C14H21IN4O — CID 120969436

IUPACN,N-dimethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide
SMILESCC1CN=C(NCc2ccc(C(=O)N(C)C)cc2)N1.I
InChIInChI=1S/C14H20N4O.HI/c1-10-8-15-14(17-10)16-9-11-4-6-12(7-5-11)13(19)18(2)3;/h4-7,10H,8-9H2,1-3H3,(H2,15,16,17);1H
InChIKeyZYWQWROKVXQTSL-UHFFFAOYSA-N
MW388.25 g/mol
LogP1.44
Rot. Bonds3

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

N,N-dimethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide (PubChem CID 120969436) has the molecular formula C14H21IN4O and a molecular weight of 388.25 g/mol. Its IUPAC name is N,N-dimethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide
PubChem CID120969436
Molecular FormulaC14H21IN4O
Molecular Weight388.25 g/mol
Exact Mass388.08
IUPAC NameN,N-dimethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide
SMILESCC1CN=C(NCc2ccc(C(=O)N(C)C)cc2)N1.I
InChIInChI=1S/C14H20N4O.HI/c1-10-8-15-14(17-10)16-9-11-4-6-12(7-5-11)13(19)18(2)3;/h4-7,10H,8-9H2,1-3H3,(H2,15,16,17);1H
InChIKeyZYWQWROKVXQTSL-UHFFFAOYSA-N
XLogP1.44
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 51.44
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

4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide
CID 120969159
N-ethyl-3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide
CID 120970158
N-ethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide;hydroiodide
CID 120971670
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
methyl 5-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]furan-2-carboxylate;hydroiodide
CID 120972380
4-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672448
2-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974686
N,N-dimethyl-4-(methylaminomethyl)benzamide
CID 155590632
5-methyl-N-[(5-methyl-3-pyridinyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 120971881
2-methyl-N-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]propanamide
CID 120969175
4-[[(N-tert-butyl-N'-methylcarbamimidoyl)amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 110967135
4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide
CID 86992768

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide?
The IUPAC name of N,N-dimethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide (CID 120969436) is N,N-dimethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide.
What is the SMILES notation for N,N-dimethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide?
The canonical SMILES for N,N-dimethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide is CC1CN=C(NCc2ccc(C(=O)N(C)C)cc2)N1.I.
What is the InChIKey of N,N-dimethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide?
The InChIKey is ZYWQWROKVXQTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O.HI/c1-10-8-15-14(17-10)16-9-11-4-6-12(7-5-11)13(19)18(2)3;/h4-7,10H,8-9H2,1-3H3,(H2,15,16,17);1H.
What are the key properties of N,N-dimethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide?
N,N-dimethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide has a molecular weight of 388.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide is sourced from PubChem (CID 120969436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).