2-[(E)-1-[2-(4-chlorophenyl)-1-(2-phenylethyl)indol-3-yl]ethylideneamino]guanidine

C25H24ClN5 — CID 59124210

IUPAC2-[(E)-1-[2-(4-chlorophenyl)-1-(2-phenylethyl)indol-3-yl]ethylideneamino]guanidine
SMILESC/C(=N\N=C(N)N)c1c(-c2ccc(Cl)cc2)n(CCc2ccccc2)c2ccccc12
InChIInChI=1S/C25H24ClN5/c1-17(29-30-25(27)28)23-21-9-5-6-10-22(21)31(16-15-18-7-3-2-4-8-18)24(23)19-11-13-20(26)14-12-19/h2-14H,15-16H2,1H3,(H4,27,28,30)/b29-17+
InChIKeyLKWAEDFGHPVLDY-STBIYBPSSA-N
MW429.96 g/mol
LogP5.20
Rot. Bonds6

About 2-[(E)-1-[2-(4-chlorophenyl)-1-(2-phenylethyl)indol-3-yl]ethylideneamino]guanidine

2-[(E)-1-[2-(4-chlorophenyl)-1-(2-phenylethyl)indol-3-yl]ethylideneamino]guanidine (PubChem CID 59124210) has the molecular formula C25H24ClN5 and a molecular weight of 429.96 g/mol. Its IUPAC name is 2-[(E)-1-[2-(4-chlorophenyl)-1-(2-phenylethyl)indol-3-yl]ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-1-[2-(4-chlorophenyl)-1-(2-phenylethyl)indol-3-yl]ethylideneamino]guanidine
PubChem CID59124210
Molecular FormulaC25H24ClN5
Molecular Weight429.96 g/mol
Exact Mass429.17
IUPAC Name2-[(E)-1-[2-(4-chlorophenyl)-1-(2-phenylethyl)indol-3-yl]ethylideneamino]guanidine
SMILESC/C(=N\N=C(N)N)c1c(-c2ccc(Cl)cc2)n(CCc2ccccc2)c2ccccc12
InChIInChI=1S/C25H24ClN5/c1-17(29-30-25(27)28)23-21-9-5-6-10-22(21)31(16-15-18-7-3-2-4-8-18)24(23)19-11-13-20(26)14-12-19/h2-14H,15-16H2,1H3,(H4,27,28,30)/b29-17+
InChIKeyLKWAEDFGHPVLDY-STBIYBPSSA-N
XLogP5.20
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.96
LogP ≤ 55.20
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-[2-(4-chlorophenyl)-1-(2-phenylethyl)indol-3-yl]ethylideneamino]guanidine?
The IUPAC name of 2-[(E)-1-[2-(4-chlorophenyl)-1-(2-phenylethyl)indol-3-yl]ethylideneamino]guanidine (CID 59124210) is 2-[(E)-1-[2-(4-chlorophenyl)-1-(2-phenylethyl)indol-3-yl]ethylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-1-[2-(4-chlorophenyl)-1-(2-phenylethyl)indol-3-yl]ethylideneamino]guanidine?
The canonical SMILES for 2-[(E)-1-[2-(4-chlorophenyl)-1-(2-phenylethyl)indol-3-yl]ethylideneamino]guanidine is C/C(=N\N=C(N)N)c1c(-c2ccc(Cl)cc2)n(CCc2ccccc2)c2ccccc12.
What is the InChIKey of 2-[(E)-1-[2-(4-chlorophenyl)-1-(2-phenylethyl)indol-3-yl]ethylideneamino]guanidine?
The InChIKey is LKWAEDFGHPVLDY-STBIYBPSSA-N. The full InChI is InChI=1S/C25H24ClN5/c1-17(29-30-25(27)28)23-21-9-5-6-10-22(21)31(16-15-18-7-3-2-4-8-18)24(23)19-11-13-20(26)14-12-19/h2-14H,15-16H2,1H3,(H4,27,28,30)/b29-17+.
What are the key properties of 2-[(E)-1-[2-(4-chlorophenyl)-1-(2-phenylethyl)indol-3-yl]ethylideneamino]guanidine?
2-[(E)-1-[2-(4-chlorophenyl)-1-(2-phenylethyl)indol-3-yl]ethylideneamino]guanidine has a molecular weight of 429.96 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-[2-(4-chlorophenyl)-1-(2-phenylethyl)indol-3-yl]ethylideneamino]guanidine is sourced from PubChem (CID 59124210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).