N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide

C24H29FIN5O — CID 111526371

IUPACN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1ccc(-n2ccnc2)c(F)c1)N1CCC(COCc2ccccc2)C1.I
InChIInChI=1S/C24H28FN5O.HI/c1-26-24(28-14-20-7-8-23(22(25)13-20)30-12-10-27-18-30)29-11-9-21(15-29)17-31-16-19-5-3-2-4-6-19;/h2-8,10,12-13,18,21H,9,11,14-17H2,1H3,(H,26,28);1H
InChIKeyJEGDZTAUTZXJJV-UHFFFAOYSA-N
MW549.43 g/mol
LogP4.24
Rot. Bonds7

About N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111526371) has the molecular formula C24H29FIN5O and a molecular weight of 549.43 g/mol. Its IUPAC name is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111526371
Molecular FormulaC24H29FIN5O
Molecular Weight549.43 g/mol
Exact Mass549.14
IUPAC NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1ccc(-n2ccnc2)c(F)c1)N1CCC(COCc2ccccc2)C1.I
InChIInChI=1S/C24H28FN5O.HI/c1-26-24(28-14-20-7-8-23(22(25)13-20)30-12-10-27-18-30)29-11-9-21(15-29)17-31-16-19-5-3-2-4-6-19;/h2-8,10,12-13,18,21H,9,11,14-17H2,1H3,(H,26,28);1H
InChIKeyJEGDZTAUTZXJJV-UHFFFAOYSA-N
XLogP4.24
TPSA54.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide 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-[[4-(ethoxymethyl)phenyl]methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526281
N'-methyl-3-(phenylmethoxymethyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrrolidine-1-carboximidamide
CID 111526272
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111133246
N'-methyl-3-(phenylmethoxymethyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111526758
N-[(4-methoxyphenyl)methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111526725
N'-methyl-N-[(4-methylsulfonylphenyl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526538
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111133247
N-[[4-(dimethylamino)phenyl]methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526218
methyl N-[4-[[[N-methyl-C-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]carbonimidoyl]amino]methyl]phenyl]carbamate;hydroiodide
CID 111525727
N-[(6-chloro-3-pyridinyl)methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526770
N-ethyl-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111525711
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111526104

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide (CID 111526371) is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide is C/N=C(/NCc1ccc(-n2ccnc2)c(F)c1)N1CCC(COCc2ccccc2)C1.I.
What is the InChIKey of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is JEGDZTAUTZXJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O.HI/c1-26-24(28-14-20-7-8-23(22(25)13-20)30-12-10-27-18-30)29-11-9-21(15-29)17-31-16-19-5-3-2-4-6-19;/h2-8,10,12-13,18,21H,9,11,14-17H2,1H3,(H,26,28);1H.
What are the key properties of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide?
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 549.43 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111526371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).