1-(diaminomethylidene)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]guanidine

C18H22FN7 — CID 168606003

IUPAC1-(diaminomethylidene)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C18H22FN7/c19-15-3-1-2-4-16(15)26-11-9-25(10-12-26)14-7-5-13(6-8-14)23-18(22)24-17(20)21/h1-8H,9-12H2,(H6,20,21,22,23,24)
InChIKeyIXQALEDFPFFWIT-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.37
Rot. Bonds3

About 1-(diaminomethylidene)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]guanidine

1-(diaminomethylidene)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]guanidine (PubChem CID 168606003) has the molecular formula C18H22FN7 and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]guanidine
PubChem CID168606003
Molecular FormulaC18H22FN7
Molecular Weight355.42 g/mol
Exact Mass355.19
IUPAC Name1-(diaminomethylidene)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C18H22FN7/c19-15-3-1-2-4-16(15)26-11-9-25(10-12-26)14-7-5-13(6-8-14)23-18(22)24-17(20)21/h1-8H,9-12H2,(H6,20,21,22,23,24)
InChIKeyIXQALEDFPFFWIT-UHFFFAOYSA-N
XLogP1.37
TPSA109.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(diaminomethylidene)-2-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]guanidine
CID 168601488
2-[4-(4-benzylpiperazin-1-yl)phenyl]-1-(diaminomethylidene)guanidine
CID 168604933
[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]thiourea
CID 169360064
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108532363
2-amino-1-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]propan-1-one
CID 83971999
1-(2-fluorophenyl)-4-(4-nitrophenyl)piperazine
CID 3124723
1-(diaminomethylidene)-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]guanidine
CID 168603417
2-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-1-(diaminomethylidene)guanidine
CID 168604135
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(2-fluorophenyl)piperidin-4-yl]methanone
CID 17152590
1-(diaminomethylidene)-2-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine
CID 168603102
2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetohydrazide
CID 54936333
N'-but-2-ynyl-4-(2-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 75482746

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]guanidine (CID 168606003) is 1-(diaminomethylidene)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]guanidine is NC(N)=N/C(N)=N/c1ccc(N2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of 1-(diaminomethylidene)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]guanidine?
The InChIKey is IXQALEDFPFFWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN7/c19-15-3-1-2-4-16(15)26-11-9-25(10-12-26)14-7-5-13(6-8-14)23-18(22)24-17(20)21/h1-8H,9-12H2,(H6,20,21,22,23,24).
What are the key properties of 1-(diaminomethylidene)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]guanidine?
1-(diaminomethylidene)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]guanidine has a molecular weight of 355.42 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]guanidine is sourced from PubChem (CID 168606003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).