1-benzylperimidine

C18H14N2 — CID 801168

IUPAC1-benzylperimidine
SMILESC1=Nc2cccc3cccc(c23)N1Cc1ccccc1
InChIInChI=1S/C18H14N2/c1-2-6-14(7-3-1)12-20-13-19-16-10-4-8-15-9-5-11-17(20)18(15)16/h1-11,13H,12H2
InChIKeyGBKRMIILRHCQSR-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.52
Rot. Bonds2

About 1-benzylperimidine

1-benzylperimidine (PubChem CID 801168) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-benzylperimidine.

Molecular Properties

Compound Name1-benzylperimidine
PubChem CID801168
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name1-benzylperimidine
SMILESC1=Nc2cccc3cccc(c23)N1Cc1ccccc1
InChIInChI=1S/C18H14N2/c1-2-6-14(7-3-1)12-20-13-19-16-10-4-8-15-9-5-11-17(20)18(15)16/h1-11,13H,12H2
InChIKeyGBKRMIILRHCQSR-UHFFFAOYSA-N
XLogP4.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}

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Related Compounds

Proton sponge
CID 88675
Aptiganel Hydrochloride
CID 60839
2-Aminoperimidine
CID 112416
Aptiganel
CID 60840
Perimidine
CID 120189
1,2-Dimethyl-1H-perimidine
CID 215090
Perimidine, 1-methyl-
CID 209253
1-Prop-2-enylperimidine
CID 745096
3-(1H-Perimidin-2-yl)aniline
CID 621146
2-methyl-1H-perimidine
CID 750290
1-Ethyl-1H-perimidine
CID 750289
methyl 1H-perimidin-1-ylmethyl ether
CID 830667

Frequently Asked Questions

What is the IUPAC name of 1-benzylperimidine?
The IUPAC name of 1-benzylperimidine (CID 801168) is 1-benzylperimidine.
What is the SMILES notation for 1-benzylperimidine?
The canonical SMILES for 1-benzylperimidine is C1=Nc2cccc3cccc(c23)N1Cc1ccccc1.
What is the InChIKey of 1-benzylperimidine?
The InChIKey is GBKRMIILRHCQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c1-2-6-14(7-3-1)12-20-13-19-16-10-4-8-15-9-5-11-17(20)18(15)16/h1-11,13H,12H2.
What are the key properties of 1-benzylperimidine?
1-benzylperimidine has a molecular weight of 258.32 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylperimidine is sourced from PubChem (CID 801168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).