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

C18H17Cl2N5 — CID 22314285

IUPAC2-[(Z)-1-[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)c2ccccc12
InChIInChI=1S/C18H17Cl2N5/c1-10(23-24-18(21)22)16-12-5-3-4-6-15(12)25(2)17(16)11-7-8-13(19)14(20)9-11/h3-9H,1-2H3,(H4,21,22,24)/b23-10-
InChIKeyYZTBBPXYFNAWAG-RMORIDSASA-N
MW374.28 g/mol
LogP4.15
Rot. Bonds3

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

2-[(Z)-1-[2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine (PubChem CID 22314285) has the molecular formula C18H17Cl2N5 and a molecular weight of 374.28 g/mol. Its IUPAC name is 2-[(Z)-1-[2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-1-[2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine
PubChem CID22314285
Molecular FormulaC18H17Cl2N5
Molecular Weight374.28 g/mol
Exact Mass373.09
IUPAC Name2-[(Z)-1-[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)c2ccccc12
InChIInChI=1S/C18H17Cl2N5/c1-10(23-24-18(21)22)16-12-5-3-4-6-15(12)25(2)17(16)11-7-8-13(19)14(20)9-11/h3-9H,1-2H3,(H4,21,22,24)/b23-10-
InChIKeyYZTBBPXYFNAWAG-RMORIDSASA-N
XLogP4.15
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.15
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-[2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine?
The IUPAC name of 2-[(Z)-1-[2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine (CID 22314285) is 2-[(Z)-1-[2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-1-[2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-1-[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)c2ccccc12.
What is the InChIKey of 2-[(Z)-1-[2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine?
The InChIKey is YZTBBPXYFNAWAG-RMORIDSASA-N. The full InChI is InChI=1S/C18H17Cl2N5/c1-10(23-24-18(21)22)16-12-5-3-4-6-15(12)25(2)17(16)11-7-8-13(19)14(20)9-11/h3-9H,1-2H3,(H4,21,22,24)/b23-10-.
What are the key properties of 2-[(Z)-1-[2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine?
2-[(Z)-1-[2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine has a molecular weight of 374.28 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-[2-(3,4-dichlorophenyl)-1-methylindol-3-yl]ethylideneamino]guanidine is sourced from PubChem (CID 22314285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).