N-ethyl-3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide

C14H21IN4O — CID 120970158

IUPACN-ethyl-3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide
SMILESCCNC(=O)c1cccc(CNC2=NCC(C)N2)c1.I
InChIInChI=1S/C14H20N4O.HI/c1-3-15-13(19)12-6-4-5-11(7-12)9-17-14-16-8-10(2)18-14;/h4-7,10H,3,8-9H2,1-2H3,(H,15,19)(H2,16,17,18);1H
InChIKeyCFDRXOBUWVFFIO-UHFFFAOYSA-N
MW388.25 g/mol
LogP1.49
Rot. Bonds4

About N-ethyl-3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide

N-ethyl-3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide (PubChem CID 120970158) has the molecular formula C14H21IN4O and a molecular weight of 388.25 g/mol. Its IUPAC name is N-ethyl-3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide
PubChem CID120970158
Molecular FormulaC14H21IN4O
Molecular Weight388.25 g/mol
Exact Mass388.08
IUPAC NameN-ethyl-3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide
SMILESCCNC(=O)c1cccc(CNC2=NCC(C)N2)c1.I
InChIInChI=1S/C14H20N4O.HI/c1-3-15-13(19)12-6-4-5-11(7-12)9-17-14-16-8-10(2)18-14;/h4-7,10H,3,8-9H2,1-2H3,(H,15,19)(H2,16,17,18);1H
InChIKeyCFDRXOBUWVFFIO-UHFFFAOYSA-N
XLogP1.49
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 51.49
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,N-dimethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide
CID 120969436
N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 119295612
4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide
CID 120969159
1-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]azetidin-2-one
CID 120972725
N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 119295626
N-ethyl-4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzenesulfonamide;hydroiodide
CID 120971670
N-ethyl-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzamide
CID 133317052
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide
CID 119734803
3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide
CID 119734851
5-cyclopropyl-5-methyl-3-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]imidazolidine-2,4-dione
CID 120972799

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide?
The IUPAC name of N-ethyl-3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide (CID 120970158) is N-ethyl-3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide.
What is the SMILES notation for N-ethyl-3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide?
The canonical SMILES for N-ethyl-3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide is CCNC(=O)c1cccc(CNC2=NCC(C)N2)c1.I.
What is the InChIKey of N-ethyl-3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide?
The InChIKey is CFDRXOBUWVFFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O.HI/c1-3-15-13(19)12-6-4-5-11(7-12)9-17-14-16-8-10(2)18-14;/h4-7,10H,3,8-9H2,1-2H3,(H,15,19)(H2,16,17,18);1H.
What are the key properties of N-ethyl-3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide?
N-ethyl-3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide has a molecular weight of 388.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide is sourced from PubChem (CID 120970158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).