N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide

C18H33N7 — CID 119159796

IUPACN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCc1cnc(N(C)C)n1C)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C18H33N7/c1-19-17(20-12-16-13-21-18(22(2)3)23(16)4)25-11-8-15(14-25)24-9-6-5-7-10-24/h13,15H,5-12,14H2,1-4H3,(H,19,20)
InChIKeyUUGVXQOOEOOJJF-UHFFFAOYSA-N
MW347.51 g/mol
LogP1.12
Rot. Bonds4

About N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide

N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide (PubChem CID 119159796) has the molecular formula C18H33N7 and a molecular weight of 347.51 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide
PubChem CID119159796
Molecular FormulaC18H33N7
Molecular Weight347.51 g/mol
Exact Mass347.28
IUPAC NameN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCc1cnc(N(C)C)n1C)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C18H33N7/c1-19-17(20-12-16-13-21-18(22(2)3)23(16)4)25-11-8-15(14-25)24-9-6-5-7-10-24/h13,15H,5-12,14H2,1-4H3,(H,19,20)
InChIKeyUUGVXQOOEOOJJF-UHFFFAOYSA-N
XLogP1.12
TPSA51.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119159840
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119157133
1-cyclohexyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 119145973
N'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143111
N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143025
1-(1-cyclopropylpyrrolidin-3-yl)-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine
CID 119159760
N'-methyl-3-piperidin-1-yl-N-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide
CID 119142987
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
CID 119159491
1-cyclopropyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine
CID 119138379
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-N'-methyl-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111993754
N'-methyl-3-piperidin-1-yl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-1-carboximidamide
CID 119142967
N'-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143060

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide (CID 119159796) is N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide is C/N=C(\NCc1cnc(N(C)C)n1C)N1CCC(N2CCCCC2)C1.
What is the InChIKey of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide?
The InChIKey is UUGVXQOOEOOJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N7/c1-19-17(20-12-16-13-21-18(22(2)3)23(16)4)25-11-8-15(14-25)24-9-6-5-7-10-24/h13,15H,5-12,14H2,1-4H3,(H,19,20).
What are the key properties of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide?
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide has a molecular weight of 347.51 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 119159796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).