[6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indol-3-yl]methanediamine;hydrazine

C17H19BrClN5 — CID 145305094

IUPAC[6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indol-3-yl]methanediamine;hydrazine
SMILESNC(N)c1c(/C=C/c2ccc(Cl)cc2)[nH]c2cc(Br)ccc12.NN
InChIInChI=1S/C17H15BrClN3.H4N2/c18-11-4-7-13-15(9-11)22-14(16(13)17(20)21)8-3-10-1-5-12(19)6-2-10;1-2/h1-9,17,22H,20-21H2;1-2H2/b8-3+;
InChIKeyPNWLGBHIIVMSCU-DCDCITSCSA-N
MW408.73 g/mol
LogP3.49
Rot. Bonds3

About [6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indol-3-yl]methanediamine;hydrazine

[6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indol-3-yl]methanediamine;hydrazine (PubChem CID 145305094) has the molecular formula C17H19BrClN5 and a molecular weight of 408.73 g/mol. Its IUPAC name is [6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indol-3-yl]methanediamine;hydrazine.

Molecular Properties

Compound Name[6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indol-3-yl]methanediamine;hydrazine
PubChem CID145305094
Molecular FormulaC17H19BrClN5
Molecular Weight408.73 g/mol
Exact Mass407.05
IUPAC Name[6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indol-3-yl]methanediamine;hydrazine
SMILESNC(N)c1c(/C=C/c2ccc(Cl)cc2)[nH]c2cc(Br)ccc12.NN
InChIInChI=1S/C17H15BrClN3.H4N2/c18-11-4-7-13-15(9-11)22-14(16(13)17(20)21)8-3-10-1-5-12(19)6-2-10;1-2/h1-9,17,22H,20-21H2;1-2H2/b8-3+;
InChIKeyPNWLGBHIIVMSCU-DCDCITSCSA-N
XLogP3.49
TPSA119.87 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.73
LogP ≤ 53.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 [6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indol-3-yl]methanediamine;hydrazine?
The IUPAC name of [6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indol-3-yl]methanediamine;hydrazine (CID 145305094) is [6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indol-3-yl]methanediamine;hydrazine.
What is the SMILES notation for [6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indol-3-yl]methanediamine;hydrazine?
The canonical SMILES for [6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indol-3-yl]methanediamine;hydrazine is NC(N)c1c(/C=C/c2ccc(Cl)cc2)[nH]c2cc(Br)ccc12.NN.
What is the InChIKey of [6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indol-3-yl]methanediamine;hydrazine?
The InChIKey is PNWLGBHIIVMSCU-DCDCITSCSA-N. The full InChI is InChI=1S/C17H15BrClN3.H4N2/c18-11-4-7-13-15(9-11)22-14(16(13)17(20)21)8-3-10-1-5-12(19)6-2-10;1-2/h1-9,17,22H,20-21H2;1-2H2/b8-3+;.
What are the key properties of [6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indol-3-yl]methanediamine;hydrazine?
[6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indol-3-yl]methanediamine;hydrazine has a molecular weight of 408.73 g/mol, XLogP of 3.49, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indol-3-yl]methanediamine;hydrazine is sourced from PubChem (CID 145305094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).