N-(2-imidazol-1-ylethyl)-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide

C18H23N5 — CID 119131238

IUPACN-(2-imidazol-1-ylethyl)-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESC/N=C(\NCCn1ccnc1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C18H23N5/c1-19-18(21-10-14-22-13-9-20-15-22)23-11-7-17(8-12-23)16-5-3-2-4-6-16/h2-7,9,13,15H,8,10-12,14H2,1H3,(H,19,21)
InChIKeyKWJWOADULNDDBF-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.25
Rot. Bonds4

About N-(2-imidazol-1-ylethyl)-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide

N-(2-imidazol-1-ylethyl)-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 119131238) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
PubChem CID119131238
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC NameN-(2-imidazol-1-ylethyl)-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESC/N=C(\NCCn1ccnc1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C18H23N5/c1-19-18(21-10-14-22-13-9-20-15-22)23-11-7-17(8-12-23)16-5-3-2-4-6-16/h2-7,9,13,15H,8,10-12,14H2,1H3,(H,19,21)
InChIKeyKWJWOADULNDDBF-UHFFFAOYSA-N
XLogP2.25
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.25
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'}

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Related Compounds

N-(2-imidazol-1-ylethyl)-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110947319
N-(2-imidazol-1-ylethyl)-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961738
N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111264045
N-[2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111263791
N-(2-imidazol-1-ylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984740
N'-methyl-4-phenyl-N-[4-(pyridin-2-ylamino)butyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263201
N-[2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]ethyl]pyrazine-2-carboxamide
CID 119131288
N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263120
N-[7-(dimethylamino)heptyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263288
N'-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 119131235
3-benzyl-N-(2-imidazol-1-ylethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111725162
N-[2-(benzenesulfonamido)ethyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263909

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide (CID 119131238) is N-(2-imidazol-1-ylethyl)-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide is C/N=C(\NCCn1ccnc1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The InChIKey is KWJWOADULNDDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-19-18(21-10-14-22-13-9-20-15-22)23-11-7-17(8-12-23)16-5-3-2-4-6-16/h2-7,9,13,15H,8,10-12,14H2,1H3,(H,19,21).
What are the key properties of N-(2-imidazol-1-ylethyl)-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
N-(2-imidazol-1-ylethyl)-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 309.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 119131238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).