1-[4-(4-fluorophenyl)-4-pyridin-2-ylbutyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine

C22H27FN6 — CID 14660345

IUPAC1-[4-(4-fluorophenyl)-4-pyridin-2-ylbutyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
SMILESN/C(=N\CCCc1cnc[nH]1)NCCCC(c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C22H27FN6/c23-18-10-8-17(9-11-18)20(21-7-1-2-12-26-21)6-4-14-28-22(24)27-13-3-5-19-15-25-16-29-19/h1-2,7-12,15-16,20H,3-6,13-14H2,(H,25,29)(H3,24,27,28)
InChIKeyLATRARGFEILASK-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.39
Rot. Bonds10

About 1-[4-(4-fluorophenyl)-4-pyridin-2-ylbutyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine

1-[4-(4-fluorophenyl)-4-pyridin-2-ylbutyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine (PubChem CID 14660345) has the molecular formula C22H27FN6 and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-4-pyridin-2-ylbutyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-4-pyridin-2-ylbutyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
PubChem CID14660345
Molecular FormulaC22H27FN6
Molecular Weight394.50 g/mol
Exact Mass394.23
IUPAC Name1-[4-(4-fluorophenyl)-4-pyridin-2-ylbutyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
SMILESN/C(=N\CCCc1cnc[nH]1)NCCCC(c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C22H27FN6/c23-18-10-8-17(9-11-18)20(21-7-1-2-12-26-21)6-4-14-28-22(24)27-13-3-5-19-15-25-16-29-19/h1-2,7-12,15-16,20H,3-6,13-14H2,(H,25,29)(H3,24,27,28)
InChIKeyLATRARGFEILASK-UHFFFAOYSA-N
XLogP3.39
TPSA91.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Mavorixafor
CID 11256587
Mifentidine
CID 71263
4-Phenylimidazole
CID 69590
SB-220025
CID 5164
2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635
4,5-Diphenylimidazole
CID 69588
4-(1H-indol-3-yl)pyrimidin-2-amine
CID 400433
PF-670462
CID 51049607
2-(3-Trifluoromethylphenyl)histamine
CID 5310982
L-790070
CID 9806182
3-(1H-imidazol-5-yl)pyridine
CID 3040177
PD-169316
CID 4712

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-4-pyridin-2-ylbutyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine?
The IUPAC name of 1-[4-(4-fluorophenyl)-4-pyridin-2-ylbutyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine (CID 14660345) is 1-[4-(4-fluorophenyl)-4-pyridin-2-ylbutyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-4-pyridin-2-ylbutyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine?
The canonical SMILES for 1-[4-(4-fluorophenyl)-4-pyridin-2-ylbutyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine is N/C(=N\CCCc1cnc[nH]1)NCCCC(c1ccc(F)cc1)c1ccccn1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-4-pyridin-2-ylbutyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine?
The InChIKey is LATRARGFEILASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6/c23-18-10-8-17(9-11-18)20(21-7-1-2-12-26-21)6-4-14-28-22(24)27-13-3-5-19-15-25-16-29-19/h1-2,7-12,15-16,20H,3-6,13-14H2,(H,25,29)(H3,24,27,28).
What are the key properties of 1-[4-(4-fluorophenyl)-4-pyridin-2-ylbutyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine?
1-[4-(4-fluorophenyl)-4-pyridin-2-ylbutyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine has a molecular weight of 394.50 g/mol, XLogP of 3.39, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-4-pyridin-2-ylbutyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine is sourced from PubChem (CID 14660345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).