1-cyano-2-[5-(2-methylimidazol-1-yl)pentyl]-3-(2-phenylsulfanylethyl)guanidine

C19H26N6S — CID 90667245

IUPAC1-cyano-2-[5-(2-methylimidazol-1-yl)pentyl]-3-(2-phenylsulfanylethyl)guanidine
SMILESCc1nccn1CCCCC/N=C(\NC#N)NCCSc1ccccc1
InChIInChI=1S/C19H26N6S/c1-17-21-11-14-25(17)13-7-3-6-10-22-19(24-16-20)23-12-15-26-18-8-4-2-5-9-18/h2,4-5,8-9,11,14H,3,6-7,10,12-13,15H2,1H3,(H2,22,23,24)
InChIKeyPMTLJEUKNBQARC-UHFFFAOYSA-N
MW370.53 g/mol
LogP3.17
Rot. Bonds10

About 1-cyano-2-[5-(2-methylimidazol-1-yl)pentyl]-3-(2-phenylsulfanylethyl)guanidine

1-cyano-2-[5-(2-methylimidazol-1-yl)pentyl]-3-(2-phenylsulfanylethyl)guanidine (PubChem CID 90667245) has the molecular formula C19H26N6S and a molecular weight of 370.53 g/mol. Its IUPAC name is 1-cyano-2-[5-(2-methylimidazol-1-yl)pentyl]-3-(2-phenylsulfanylethyl)guanidine.

Molecular Properties

Compound Name1-cyano-2-[5-(2-methylimidazol-1-yl)pentyl]-3-(2-phenylsulfanylethyl)guanidine
PubChem CID90667245
Molecular FormulaC19H26N6S
Molecular Weight370.53 g/mol
Exact Mass370.19
IUPAC Name1-cyano-2-[5-(2-methylimidazol-1-yl)pentyl]-3-(2-phenylsulfanylethyl)guanidine
SMILESCc1nccn1CCCCC/N=C(\NC#N)NCCSc1ccccc1
InChIInChI=1S/C19H26N6S/c1-17-21-11-14-25(17)13-7-3-6-10-22-19(24-16-20)23-12-15-26-18-8-4-2-5-9-18/h2,4-5,8-9,11,14H,3,6-7,10,12-13,15H2,1H3,(H2,22,23,24)
InChIKeyPMTLJEUKNBQARC-UHFFFAOYSA-N
XLogP3.17
TPSA78.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-cyano-2-[5-(2-methylimidazol-1-yl)pentyl]-3-(2-phenylsulfanylethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-[5-(2-methylimidazol-1-yl)pentyl]-3-(2-phenylsulfanylethyl)guanidine?
The IUPAC name of 1-cyano-2-[5-(2-methylimidazol-1-yl)pentyl]-3-(2-phenylsulfanylethyl)guanidine (CID 90667245) is 1-cyano-2-[5-(2-methylimidazol-1-yl)pentyl]-3-(2-phenylsulfanylethyl)guanidine.
What is the SMILES notation for 1-cyano-2-[5-(2-methylimidazol-1-yl)pentyl]-3-(2-phenylsulfanylethyl)guanidine?
The canonical SMILES for 1-cyano-2-[5-(2-methylimidazol-1-yl)pentyl]-3-(2-phenylsulfanylethyl)guanidine is Cc1nccn1CCCCC/N=C(\NC#N)NCCSc1ccccc1.
What is the InChIKey of 1-cyano-2-[5-(2-methylimidazol-1-yl)pentyl]-3-(2-phenylsulfanylethyl)guanidine?
The InChIKey is PMTLJEUKNBQARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6S/c1-17-21-11-14-25(17)13-7-3-6-10-22-19(24-16-20)23-12-15-26-18-8-4-2-5-9-18/h2,4-5,8-9,11,14H,3,6-7,10,12-13,15H2,1H3,(H2,22,23,24).
What are the key properties of 1-cyano-2-[5-(2-methylimidazol-1-yl)pentyl]-3-(2-phenylsulfanylethyl)guanidine?
1-cyano-2-[5-(2-methylimidazol-1-yl)pentyl]-3-(2-phenylsulfanylethyl)guanidine has a molecular weight of 370.53 g/mol, XLogP of 3.17, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-[5-(2-methylimidazol-1-yl)pentyl]-3-(2-phenylsulfanylethyl)guanidine is sourced from PubChem (CID 90667245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).