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

C23H36IN5 — CID 109490779

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/C)NCCc2nccn2Cc2ccccc2)C1.I
InChIInChI=1S/C23H35N5.HI/c1-4-12-23(2)13-8-16-28(19-23)22(24-3)26-14-11-21-25-15-17-27(21)18-20-9-6-5-7-10-20;/h5-7,9-10,15,17H,4,8,11-14,16,18-19H2,1-3H3,(H,24,26);1H
InChIKeyBWJKSAMJYXVYGX-UHFFFAOYSA-N
MW509.48 g/mol
LogP4.57
Rot. Bonds7

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

N-[2-(1-benzylimidazol-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 109490779) has the molecular formula C23H36IN5 and a molecular weight of 509.48 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
PubChem CID109490779
Molecular FormulaC23H36IN5
Molecular Weight509.48 g/mol
Exact Mass509.20
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/C)NCCc2nccn2Cc2ccccc2)C1.I
InChIInChI=1S/C23H35N5.HI/c1-4-12-23(2)13-8-16-28(19-23)22(24-3)26-14-11-21-25-15-17-27(21)18-20-9-6-5-7-10-20;/h5-7,9-10,15,17H,4,8,11-14,16,18-19H2,1-3H3,(H,24,26);1H
InChIKeyBWJKSAMJYXVYGX-UHFFFAOYSA-N
XLogP4.57
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.48
LogP ≤ 54.57
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

N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111184809
N-[(1-benzylimidazol-2-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111465680
1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-propylguanidine
CID 111228267
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111731036
N-[2-(furan-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490544
N-[2-(1-benzylimidazol-2-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481307
N-[2-(benzenesulfonyl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490656
N',3-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490291
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490441
N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490392
tert-butyl N-[1-[N-[2-(1-benzylimidazol-2-yl)ethyl]-N'-methylcarbamimidoyl]pyrrolidin-3-yl]carbamate;hydroiodide
CID 111728816
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide (CID 109490779) is N-[2-(1-benzylimidazol-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide is CCCC1(C)CCCN(/C(=N/C)NCCc2nccn2Cc2ccccc2)C1.I.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is BWJKSAMJYXVYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5.HI/c1-4-12-23(2)13-8-16-28(19-23)22(24-3)26-14-11-21-25-15-17-27(21)18-20-9-6-5-7-10-20;/h5-7,9-10,15,17H,4,8,11-14,16,18-19H2,1-3H3,(H,24,26);1H.
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
N-[2-(1-benzylimidazol-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 509.48 g/mol, XLogP of 4.57, 7 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]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109490779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).