2-[(Z)-1-[1-benzyl-2-(4-chlorophenyl)indol-3-yl]ethylideneamino]guanidine

C24H22ClN5 — CID 22314327

IUPAC2-[(Z)-1-[1-benzyl-2-(4-chlorophenyl)indol-3-yl]ethylideneamino]guanidine
SMILESC/C(=N/N=C(N)N)c1c(-c2ccc(Cl)cc2)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C24H22ClN5/c1-16(28-29-24(26)27)22-20-9-5-6-10-21(20)30(15-17-7-3-2-4-8-17)23(22)18-11-13-19(25)14-12-18/h2-14H,15H2,1H3,(H4,26,27,29)/b28-16-
InChIKeyCUUQLULYXKOOBX-NTFVMDSBSA-N
MW415.93 g/mol
LogP5.01
Rot. Bonds5

About 2-[(Z)-1-[1-benzyl-2-(4-chlorophenyl)indol-3-yl]ethylideneamino]guanidine

2-[(Z)-1-[1-benzyl-2-(4-chlorophenyl)indol-3-yl]ethylideneamino]guanidine (PubChem CID 22314327) has the molecular formula C24H22ClN5 and a molecular weight of 415.93 g/mol. Its IUPAC name is 2-[(Z)-1-[1-benzyl-2-(4-chlorophenyl)indol-3-yl]ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-1-[1-benzyl-2-(4-chlorophenyl)indol-3-yl]ethylideneamino]guanidine
PubChem CID22314327
Molecular FormulaC24H22ClN5
Molecular Weight415.93 g/mol
Exact Mass415.16
IUPAC Name2-[(Z)-1-[1-benzyl-2-(4-chlorophenyl)indol-3-yl]ethylideneamino]guanidine
SMILESC/C(=N/N=C(N)N)c1c(-c2ccc(Cl)cc2)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C24H22ClN5/c1-16(28-29-24(26)27)22-20-9-5-6-10-21(20)30(15-17-7-3-2-4-8-17)23(22)18-11-13-19(25)14-12-18/h2-14H,15H2,1H3,(H4,26,27,29)/b28-16-
InChIKeyCUUQLULYXKOOBX-NTFVMDSBSA-N
XLogP5.01
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.93
LogP ≤ 55.01
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-benzyl-2-(4-chlorophenyl)indol-3-yl]ethylideneamino]guanidine?
The IUPAC name of 2-[(Z)-1-[1-benzyl-2-(4-chlorophenyl)indol-3-yl]ethylideneamino]guanidine (CID 22314327) is 2-[(Z)-1-[1-benzyl-2-(4-chlorophenyl)indol-3-yl]ethylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-1-[1-benzyl-2-(4-chlorophenyl)indol-3-yl]ethylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-1-[1-benzyl-2-(4-chlorophenyl)indol-3-yl]ethylideneamino]guanidine is C/C(=N/N=C(N)N)c1c(-c2ccc(Cl)cc2)n(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 2-[(Z)-1-[1-benzyl-2-(4-chlorophenyl)indol-3-yl]ethylideneamino]guanidine?
The InChIKey is CUUQLULYXKOOBX-NTFVMDSBSA-N. The full InChI is InChI=1S/C24H22ClN5/c1-16(28-29-24(26)27)22-20-9-5-6-10-21(20)30(15-17-7-3-2-4-8-17)23(22)18-11-13-19(25)14-12-18/h2-14H,15H2,1H3,(H4,26,27,29)/b28-16-.
What are the key properties of 2-[(Z)-1-[1-benzyl-2-(4-chlorophenyl)indol-3-yl]ethylideneamino]guanidine?
2-[(Z)-1-[1-benzyl-2-(4-chlorophenyl)indol-3-yl]ethylideneamino]guanidine has a molecular weight of 415.93 g/mol, XLogP of 5.01, 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-benzyl-2-(4-chlorophenyl)indol-3-yl]ethylideneamino]guanidine is sourced from PubChem (CID 22314327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).