2-[(Z)-[1-(1-methyl-2-phenylindol-3-yl)-2-phenylethylidene]amino]guanidine

C24H23N5 — CID 87999415

IUPAC2-[(Z)-[1-(1-methyl-2-phenylindol-3-yl)-2-phenylethylidene]amino]guanidine
SMILESCn1c(-c2ccccc2)c(/C(Cc2ccccc2)=N\N=C(N)N)c2ccccc21
InChIInChI=1S/C24H23N5/c1-29-21-15-9-8-14-19(21)22(23(29)18-12-6-3-7-13-18)20(27-28-24(25)26)16-17-10-4-2-5-11-17/h2-15H,16H2,1H3,(H4,25,26,28)/b27-20-
InChIKeyGSOLYIXHGNHVIE-OOAXWGSJSA-N
MW381.48 g/mol
LogP4.07
Rot. Bonds5

About 2-[(Z)-[1-(1-methyl-2-phenylindol-3-yl)-2-phenylethylidene]amino]guanidine

2-[(Z)-[1-(1-methyl-2-phenylindol-3-yl)-2-phenylethylidene]amino]guanidine (PubChem CID 87999415) has the molecular formula C24H23N5 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[(Z)-[1-(1-methyl-2-phenylindol-3-yl)-2-phenylethylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[1-(1-methyl-2-phenylindol-3-yl)-2-phenylethylidene]amino]guanidine
PubChem CID87999415
Molecular FormulaC24H23N5
Molecular Weight381.48 g/mol
Exact Mass381.20
IUPAC Name2-[(Z)-[1-(1-methyl-2-phenylindol-3-yl)-2-phenylethylidene]amino]guanidine
SMILESCn1c(-c2ccccc2)c(/C(Cc2ccccc2)=N\N=C(N)N)c2ccccc21
InChIInChI=1S/C24H23N5/c1-29-21-15-9-8-14-19(21)22(23(29)18-12-6-3-7-13-18)20(27-28-24(25)26)16-17-10-4-2-5-11-17/h2-15H,16H2,1H3,(H4,25,26,28)/b27-20-
InChIKeyGSOLYIXHGNHVIE-OOAXWGSJSA-N
XLogP4.07
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.07
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-[(Z)-[1-(1-methyl-2-phenylindol-3-yl)-2-phenylethylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[1-(1-methyl-2-phenylindol-3-yl)-2-phenylethylidene]amino]guanidine (CID 87999415) is 2-[(Z)-[1-(1-methyl-2-phenylindol-3-yl)-2-phenylethylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[1-(1-methyl-2-phenylindol-3-yl)-2-phenylethylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[1-(1-methyl-2-phenylindol-3-yl)-2-phenylethylidene]amino]guanidine is Cn1c(-c2ccccc2)c(/C(Cc2ccccc2)=N\N=C(N)N)c2ccccc21.
What is the InChIKey of 2-[(Z)-[1-(1-methyl-2-phenylindol-3-yl)-2-phenylethylidene]amino]guanidine?
The InChIKey is GSOLYIXHGNHVIE-OOAXWGSJSA-N. The full InChI is InChI=1S/C24H23N5/c1-29-21-15-9-8-14-19(21)22(23(29)18-12-6-3-7-13-18)20(27-28-24(25)26)16-17-10-4-2-5-11-17/h2-15H,16H2,1H3,(H4,25,26,28)/b27-20-.
What are the key properties of 2-[(Z)-[1-(1-methyl-2-phenylindol-3-yl)-2-phenylethylidene]amino]guanidine?
2-[(Z)-[1-(1-methyl-2-phenylindol-3-yl)-2-phenylethylidene]amino]guanidine has a molecular weight of 381.48 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[1-(1-methyl-2-phenylindol-3-yl)-2-phenylethylidene]amino]guanidine is sourced from PubChem (CID 87999415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).