4-(4-fluorophenyl)-N'-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide

C20H24FIN6 — CID 119145902

IUPAC4-(4-fluorophenyl)-N'-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
SMILESCc1ccc2nc(C/N=C(\N)N3CCN(c4ccc(F)cc4)CC3)[nH]c2c1.I
InChIInChI=1S/C20H23FN6.HI/c1-14-2-7-17-18(12-14)25-19(24-17)13-23-20(22)27-10-8-26(9-11-27)16-5-3-15(21)4-6-16;/h2-7,12H,8-11,13H2,1H3,(H2,22,23)(H,24,25);1H
InChIKeyGUPYMKIBVNKAPW-UHFFFAOYSA-N
MW494.36 g/mol
LogP3.27
Rot. Bonds3

About 4-(4-fluorophenyl)-N'-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide

4-(4-fluorophenyl)-N'-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 119145902) has the molecular formula C20H24FIN6 and a molecular weight of 494.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID119145902
Molecular FormulaC20H24FIN6
Molecular Weight494.36 g/mol
Exact Mass494.11
IUPAC Name4-(4-fluorophenyl)-N'-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
SMILESCc1ccc2nc(C/N=C(\N)N3CCN(c4ccc(F)cc4)CC3)[nH]c2c1.I
InChIInChI=1S/C20H23FN6.HI/c1-14-2-7-17-18(12-14)25-19(24-17)13-23-20(22)27-10-8-26(9-11-27)16-5-3-15(21)4-6-16;/h2-7,12H,8-11,13H2,1H3,(H2,22,23)(H,24,25);1H
InChIKeyGUPYMKIBVNKAPW-UHFFFAOYSA-N
XLogP3.27
TPSA73.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.36
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

4-(4-fluorophenyl)-N'-[(4-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide
CID 122096482
N'-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111064225
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 119120524
4-(4-fluorophenyl)-N'-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111802431
N'-[[4-(dimethylamino)phenyl]methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111033194
4-(4-fluorophenyl)-N'-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboximidamide
CID 111064796
4-(4-fluorophenyl)-N'-[(4-hydroxyphenyl)methyl]piperazine-1-carboximidamide
CID 111042071
N'-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111065961
4-(4-fluorophenyl)-N'-pent-3-enylpiperazine-1-carboximidamide;hydroiodide
CID 111813721
N'-[2-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111055396
N'-(2-chloroprop-2-enyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 119147921
4-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111026410

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(4-fluorophenyl)-N'-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide (CID 119145902) is 4-(4-fluorophenyl)-N'-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide is Cc1ccc2nc(C/N=C(\N)N3CCN(c4ccc(F)cc4)CC3)[nH]c2c1.I.
What is the InChIKey of 4-(4-fluorophenyl)-N'-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is GUPYMKIBVNKAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6.HI/c1-14-2-7-17-18(12-14)25-19(24-17)13-23-20(22)27-10-8-26(9-11-27)16-5-3-15(21)4-6-16;/h2-7,12H,8-11,13H2,1H3,(H2,22,23)(H,24,25);1H.
What are the key properties of 4-(4-fluorophenyl)-N'-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
4-(4-fluorophenyl)-N'-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 494.36 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119145902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).