2-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]guanidine

C17H17N5 — CID 22314271

IUPAC2-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]guanidine
SMILESCn1c(-c2ccccc2)c(/C=N/N=C(N)N)c2ccccc21
InChIInChI=1S/C17H17N5/c1-22-15-10-6-5-9-13(15)14(11-20-21-17(18)19)16(22)12-7-3-2-4-8-12/h2-11H,1H3,(H4,18,19,21)/b20-11+
InChIKeyMVAXUHVTINRCFD-RGVLZGJSSA-N
MW291.36 g/mol
LogP2.45
Rot. Bonds3

About 2-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]guanidine

2-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]guanidine (PubChem CID 22314271) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]guanidine
PubChem CID22314271
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name2-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]guanidine
SMILESCn1c(-c2ccccc2)c(/C=N/N=C(N)N)c2ccccc21
InChIInChI=1S/C17H17N5/c1-22-15-10-6-5-9-13(15)14(11-20-21-17(18)19)16(22)12-7-3-2-4-8-12/h2-11H,1H3,(H4,18,19,21)/b20-11+
InChIKeyMVAXUHVTINRCFD-RGVLZGJSSA-N
XLogP2.45
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]guanidine?
The IUPAC name of 2-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]guanidine (CID 22314271) is 2-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]guanidine is Cn1c(-c2ccccc2)c(/C=N/N=C(N)N)c2ccccc21.
What is the InChIKey of 2-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]guanidine?
The InChIKey is MVAXUHVTINRCFD-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H17N5/c1-22-15-10-6-5-9-13(15)14(11-20-21-17(18)19)16(22)12-7-3-2-4-8-12/h2-11H,1H3,(H4,18,19,21)/b20-11+.
What are the key properties of 2-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]guanidine?
2-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]guanidine has a molecular weight of 291.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]guanidine is sourced from PubChem (CID 22314271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).