1-(3-benzylphenyl)-1-methyl-2-naphthalen-1-ylguanidine

C25H23N3 — CID 118721795

IUPAC1-(3-benzylphenyl)-1-methyl-2-naphthalen-1-ylguanidine
SMILESCN(/C(N)=N/c1cccc2ccccc12)c1cccc(Cc2ccccc2)c1
InChIInChI=1S/C25H23N3/c1-28(22-14-7-11-20(18-22)17-19-9-3-2-4-10-19)25(26)27-24-16-8-13-21-12-5-6-15-23(21)24/h2-16,18H,17H2,1H3,(H2,26,27)
InChIKeyBTSZTTSTMLKKPO-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.51
Rot. Bonds4

About 1-(3-benzylphenyl)-1-methyl-2-naphthalen-1-ylguanidine

1-(3-benzylphenyl)-1-methyl-2-naphthalen-1-ylguanidine (PubChem CID 118721795) has the molecular formula C25H23N3 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(3-benzylphenyl)-1-methyl-2-naphthalen-1-ylguanidine.

Molecular Properties

Compound Name1-(3-benzylphenyl)-1-methyl-2-naphthalen-1-ylguanidine
PubChem CID118721795
Molecular FormulaC25H23N3
Molecular Weight365.48 g/mol
Exact Mass365.19
IUPAC Name1-(3-benzylphenyl)-1-methyl-2-naphthalen-1-ylguanidine
SMILESCN(/C(N)=N/c1cccc2ccccc12)c1cccc(Cc2ccccc2)c1
InChIInChI=1S/C25H23N3/c1-28(22-14-7-11-20(18-22)17-19-9-3-2-4-10-19)25(26)27-24-16-8-13-21-12-5-6-15-23(21)24/h2-16,18H,17H2,1H3,(H2,26,27)
InChIKeyBTSZTTSTMLKKPO-UHFFFAOYSA-N
XLogP5.51
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-benzylphenyl)-1-methyl-2-naphthalen-1-ylguanidine?
The IUPAC name of 1-(3-benzylphenyl)-1-methyl-2-naphthalen-1-ylguanidine (CID 118721795) is 1-(3-benzylphenyl)-1-methyl-2-naphthalen-1-ylguanidine.
What is the SMILES notation for 1-(3-benzylphenyl)-1-methyl-2-naphthalen-1-ylguanidine?
The canonical SMILES for 1-(3-benzylphenyl)-1-methyl-2-naphthalen-1-ylguanidine is CN(/C(N)=N/c1cccc2ccccc12)c1cccc(Cc2ccccc2)c1.
What is the InChIKey of 1-(3-benzylphenyl)-1-methyl-2-naphthalen-1-ylguanidine?
The InChIKey is BTSZTTSTMLKKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3/c1-28(22-14-7-11-20(18-22)17-19-9-3-2-4-10-19)25(26)27-24-16-8-13-21-12-5-6-15-23(21)24/h2-16,18H,17H2,1H3,(H2,26,27).
What are the key properties of 1-(3-benzylphenyl)-1-methyl-2-naphthalen-1-ylguanidine?
1-(3-benzylphenyl)-1-methyl-2-naphthalen-1-ylguanidine has a molecular weight of 365.48 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzylphenyl)-1-methyl-2-naphthalen-1-ylguanidine is sourced from PubChem (CID 118721795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).