2-[(Z)-1-[5-chloro-2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine

C18H16Cl3N5 — CID 22314326

IUPAC2-[(Z)-1-[5-chloro-2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine
SMILESC/C(=N/N=C(N)N)c1c(-c2ccc(Cl)c(Cl)c2)n(C)c2ccc(Cl)cc12
InChIInChI=1S/C18H16Cl3N5/c1-9(24-25-18(22)23)16-12-8-11(19)4-6-15(12)26(2)17(16)10-3-5-13(20)14(21)7-10/h3-8H,1-2H3,(H4,22,23,25)/b24-9-
InChIKeyCIXSZSFOJHKUMA-OPVMPGTRSA-N
MW408.72 g/mol
LogP4.80
Rot. Bonds3

About 2-[(Z)-1-[5-chloro-2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine

2-[(Z)-1-[5-chloro-2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine (PubChem CID 22314326) has the molecular formula C18H16Cl3N5 and a molecular weight of 408.72 g/mol. Its IUPAC name is 2-[(Z)-1-[5-chloro-2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-1-[5-chloro-2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine
PubChem CID22314326
Molecular FormulaC18H16Cl3N5
Molecular Weight408.72 g/mol
Exact Mass407.05
IUPAC Name2-[(Z)-1-[5-chloro-2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine
SMILESC/C(=N/N=C(N)N)c1c(-c2ccc(Cl)c(Cl)c2)n(C)c2ccc(Cl)cc12
InChIInChI=1S/C18H16Cl3N5/c1-9(24-25-18(22)23)16-12-8-11(19)4-6-15(12)26(2)17(16)10-3-5-13(20)14(21)7-10/h3-8H,1-2H3,(H4,22,23,25)/b24-9-
InChIKeyCIXSZSFOJHKUMA-OPVMPGTRSA-N
XLogP4.80
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.72
LogP ≤ 54.80
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-[5-chloro-2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine?
The IUPAC name of 2-[(Z)-1-[5-chloro-2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine (CID 22314326) is 2-[(Z)-1-[5-chloro-2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-1-[5-chloro-2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-1-[5-chloro-2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine is C/C(=N/N=C(N)N)c1c(-c2ccc(Cl)c(Cl)c2)n(C)c2ccc(Cl)cc12.
What is the InChIKey of 2-[(Z)-1-[5-chloro-2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine?
The InChIKey is CIXSZSFOJHKUMA-OPVMPGTRSA-N. The full InChI is InChI=1S/C18H16Cl3N5/c1-9(24-25-18(22)23)16-12-8-11(19)4-6-15(12)26(2)17(16)10-3-5-13(20)14(21)7-10/h3-8H,1-2H3,(H4,22,23,25)/b24-9-.
What are the key properties of 2-[(Z)-1-[5-chloro-2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine?
2-[(Z)-1-[5-chloro-2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine has a molecular weight of 408.72 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-[5-chloro-2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine is sourced from PubChem (CID 22314326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).