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

C19H28FN7 — CID 119159491

IUPACN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
SMILESC/N=C(\NCc1cnc(N(C)C)n1C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H28FN7/c1-21-18(22-13-17-14-23-19(24(2)3)25(17)4)27-11-9-26(10-12-27)16-7-5-15(20)6-8-16/h5-8,14H,9-13H2,1-4H3,(H,21,22)
InChIKeyJHCPAACZHFVNIP-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.52
Rot. Bonds4

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

N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide (PubChem CID 119159491) has the molecular formula C19H28FN7 and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
PubChem CID119159491
Molecular FormulaC19H28FN7
Molecular Weight373.48 g/mol
Exact Mass373.24
IUPAC NameN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
SMILESC/N=C(\NCc1cnc(N(C)C)n1C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H28FN7/c1-21-18(22-13-17-14-23-19(24(2)3)25(17)4)27-11-9-26(10-12-27)16-7-5-15(20)6-8-16/h5-8,14H,9-13H2,1-4H3,(H,21,22)
InChIKeyJHCPAACZHFVNIP-UHFFFAOYSA-N
XLogP1.52
TPSA51.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.52
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'}

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Related Compounds

4-(4-fluorophenyl)-N'-methyl-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide
CID 111165836
4-(4-fluorophenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-N'-methylpiperazine-1-carboximidamide
CID 111165810
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119159840
4-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N'-methylpiperazine-1-carboximidamide
CID 111165687
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
CID 119130311
4-(4-fluorophenyl)-N'-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]piperazine-1-carboximidamide;hydroiodide
CID 111164936
4-(4-fluorophenyl)-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111165022
4-(4-fluorophenyl)-N'-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carboximidamide
CID 111165499
1-cyclopropyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine
CID 119138379
1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methyl-3-(1-phenylpiperidin-3-yl)guanidine;hydroiodide
CID 119159858
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111165396
4-(4-fluorophenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N'-methylpiperazine-1-carboximidamide
CID 111165413

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide?
The IUPAC name of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide (CID 119159491) is N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide?
The canonical SMILES for N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide is C/N=C(\NCc1cnc(N(C)C)n1C)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide?
The InChIKey is JHCPAACZHFVNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN7/c1-21-18(22-13-17-14-23-19(24(2)3)25(17)4)27-11-9-26(10-12-27)16-7-5-15(20)6-8-16/h5-8,14H,9-13H2,1-4H3,(H,21,22).
What are the key properties of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide?
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide has a molecular weight of 373.48 g/mol, XLogP of 1.52, 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]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 119159491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).