N'-(1-methyl-2-phenylindol-5-yl)ethanimidamide

C17H17N3 — CID 11242498

IUPACN'-(1-methyl-2-phenylindol-5-yl)ethanimidamide
SMILESC/C(N)=N\c1ccc2c(c1)cc(-c1ccccc1)n2C
InChIInChI=1S/C17H17N3/c1-12(18)19-15-8-9-16-14(10-15)11-17(20(16)2)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,18,19)
InChIKeyHPYWUBTYCUPYMM-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.85
Rot. Bonds2

About N'-(1-methyl-2-phenylindol-5-yl)ethanimidamide

N'-(1-methyl-2-phenylindol-5-yl)ethanimidamide (PubChem CID 11242498) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-(1-methyl-2-phenylindol-5-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(1-methyl-2-phenylindol-5-yl)ethanimidamide
PubChem CID11242498
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN'-(1-methyl-2-phenylindol-5-yl)ethanimidamide
SMILESC/C(N)=N\c1ccc2c(c1)cc(-c1ccccc1)n2C
InChIInChI=1S/C17H17N3/c1-12(18)19-15-8-9-16-14(10-15)11-17(20(16)2)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,18,19)
InChIKeyHPYWUBTYCUPYMM-UHFFFAOYSA-N
XLogP3.85
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N'-(1-methyl-2-phenylindol-5-yl)ethanimidamide?
The IUPAC name of N'-(1-methyl-2-phenylindol-5-yl)ethanimidamide (CID 11242498) is N'-(1-methyl-2-phenylindol-5-yl)ethanimidamide.
What is the SMILES notation for N'-(1-methyl-2-phenylindol-5-yl)ethanimidamide?
The canonical SMILES for N'-(1-methyl-2-phenylindol-5-yl)ethanimidamide is C/C(N)=N\c1ccc2c(c1)cc(-c1ccccc1)n2C.
What is the InChIKey of N'-(1-methyl-2-phenylindol-5-yl)ethanimidamide?
The InChIKey is HPYWUBTYCUPYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-12(18)19-15-8-9-16-14(10-15)11-17(20(16)2)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,18,19).
What are the key properties of N'-(1-methyl-2-phenylindol-5-yl)ethanimidamide?
N'-(1-methyl-2-phenylindol-5-yl)ethanimidamide has a molecular weight of 263.34 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methyl-2-phenylindol-5-yl)ethanimidamide is sourced from PubChem (CID 11242498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).