N'-[2-(1-benzylimidazol-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

C19H28IN5 — CID 111042145

IUPACN'-[2-(1-benzylimidazol-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CCc2nccn2Cc2ccccc2)C1.I
InChIInChI=1S/C19H27N5.HI/c1-16-6-5-12-24(14-16)19(20)22-10-9-18-21-11-13-23(18)15-17-7-3-2-4-8-17;/h2-4,7-8,11,13,16H,5-6,9-10,12,14-15H2,1H3,(H2,20,22);1H
InChIKeyABHKBXFNPQXMCV-UHFFFAOYSA-N
MW453.37 g/mol
LogP3.14
Rot. Bonds5

About N'-[2-(1-benzylimidazol-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

N'-[2-(1-benzylimidazol-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111042145) has the molecular formula C19H28IN5 and a molecular weight of 453.37 g/mol. Its IUPAC name is N'-[2-(1-benzylimidazol-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(1-benzylimidazol-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111042145
Molecular FormulaC19H28IN5
Molecular Weight453.37 g/mol
Exact Mass453.14
IUPAC NameN'-[2-(1-benzylimidazol-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CCc2nccn2Cc2ccccc2)C1.I
InChIInChI=1S/C19H27N5.HI/c1-16-6-5-12-24(14-16)19(20)22-10-9-18-21-11-13-23(18)15-17-7-3-2-4-8-17;/h2-4,7-8,11,13,16H,5-6,9-10,12,14-15H2,1H3,(H2,20,22);1H
InChIKeyABHKBXFNPQXMCV-UHFFFAOYSA-N
XLogP3.14
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
3-methyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboximidamide
CID 111802470
3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 111037466
3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide
CID 111036940
N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-methylpiperidine-1-carboximidamide
CID 111752022
2-[2-(1-benzylimidazol-2-yl)ethyl]-1,3-diethylguanidine
CID 110914921
3-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111074838
N'-[2-(1-benzylimidazol-2-yl)ethyl]-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110962086
N'-[3-(2-chlorophenyl)propyl]-3-methylpiperidine-1-carboximidamide
CID 111806836
N'-[2-(3,5-dimethylphenyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111818646
3-methyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111038144
N'-[2-(1-benzylimidazol-2-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109487237

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-benzylimidazol-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(1-benzylimidazol-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (CID 111042145) is N'-[2-(1-benzylimidazol-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(1-benzylimidazol-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(1-benzylimidazol-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is CC1CCCN(/C(N)=N/CCc2nccn2Cc2ccccc2)C1.I.
What is the InChIKey of N'-[2-(1-benzylimidazol-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is ABHKBXFNPQXMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5.HI/c1-16-6-5-12-24(14-16)19(20)22-10-9-18-21-11-13-23(18)15-17-7-3-2-4-8-17;/h2-4,7-8,11,13,16H,5-6,9-10,12,14-15H2,1H3,(H2,20,22);1H.
What are the key properties of N'-[2-(1-benzylimidazol-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[2-(1-benzylimidazol-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 453.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-benzylimidazol-2-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111042145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).