N'-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(2-methylphenyl)pyrrolidine-1-carboximidamide

C18H25N5 — CID 119142953

IUPACN'-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(2-methylphenyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCc1nccn1C)N1CCC(c2ccccc2C)C1
InChIInChI=1S/C18H25N5/c1-14-6-4-5-7-16(14)15-8-10-23(13-15)18(19-2)21-12-17-20-9-11-22(17)3/h4-7,9,11,15H,8,10,12-13H2,1-3H3,(H,19,21)
InChIKeyFJDHGDSXSRDRSG-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.29
Rot. Bonds3

About N'-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(2-methylphenyl)pyrrolidine-1-carboximidamide

N'-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(2-methylphenyl)pyrrolidine-1-carboximidamide (PubChem CID 119142953) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N'-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(2-methylphenyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(2-methylphenyl)pyrrolidine-1-carboximidamide
PubChem CID119142953
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN'-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(2-methylphenyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCc1nccn1C)N1CCC(c2ccccc2C)C1
InChIInChI=1S/C18H25N5/c1-14-6-4-5-7-16(14)15-8-10-23(13-15)18(19-2)21-12-17-20-9-11-22(17)3/h4-7,9,11,15H,8,10,12-13H2,1-3H3,(H,19,21)
InChIKeyFJDHGDSXSRDRSG-UHFFFAOYSA-N
XLogP2.29
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.29
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'-methyl-3-(2-methylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119142900
N'-methyl-3-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119142894
N'-methyl-3-(2-methylphenyl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119142938
3-(methoxymethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboximidamide
CID 119143572
N'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119142946
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479477
N'-methyl-3-(2-methylphenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]pyrrolidine-1-carboximidamide
CID 119142931
N'-methyl-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboximidamide
CID 111723451
N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]-3-phenylpyrrolidine-1-carboximidamide
CID 119155019
4-(5-chloro-2-methylphenyl)-N'-methyl-N-[(1-methylimidazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119131335
N'-methyl-2-(2-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide
CID 109480955
N-[(1-benzylimidazol-2-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111465680

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(2-methylphenyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(2-methylphenyl)pyrrolidine-1-carboximidamide (CID 119142953) is N'-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(2-methylphenyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(2-methylphenyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(2-methylphenyl)pyrrolidine-1-carboximidamide is C/N=C(\NCc1nccn1C)N1CCC(c2ccccc2C)C1.
What is the InChIKey of N'-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(2-methylphenyl)pyrrolidine-1-carboximidamide?
The InChIKey is FJDHGDSXSRDRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-14-6-4-5-7-16(14)15-8-10-23(13-15)18(19-2)21-12-17-20-9-11-22(17)3/h4-7,9,11,15H,8,10,12-13H2,1-3H3,(H,19,21).
What are the key properties of N'-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(2-methylphenyl)pyrrolidine-1-carboximidamide?
N'-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(2-methylphenyl)pyrrolidine-1-carboximidamide has a molecular weight of 311.43 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(2-methylphenyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 119142953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).