4-[bis(5-chloro-1-methylindol-3-yl)methyl]benzohydrazide

C26H22Cl2N4O — CID 167530599

IUPAC4-[bis(5-chloro-1-methylindol-3-yl)methyl]benzohydrazide
SMILESCn1cc(C(c2ccc(C(=O)NN)cc2)c2cn(C)c3ccc(Cl)cc23)c2cc(Cl)ccc21
InChIInChI=1S/C26H22Cl2N4O/c1-31-13-21(19-11-17(27)7-9-23(19)31)25(15-3-5-16(6-4-15)26(33)30-29)22-14-32(2)24-10-8-18(28)12-20(22)24/h3-14,25H,29H2,1-2H3,(H,30,33)
InChIKeyXRJNIUOQOGXMET-UHFFFAOYSA-N
MW477.40 g/mol
LogP5.76
Rot. Bonds4

About 4-[bis(5-chloro-1-methylindol-3-yl)methyl]benzohydrazide

4-[bis(5-chloro-1-methylindol-3-yl)methyl]benzohydrazide (PubChem CID 167530599) has the molecular formula C26H22Cl2N4O and a molecular weight of 477.40 g/mol. Its IUPAC name is 4-[bis(5-chloro-1-methylindol-3-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[bis(5-chloro-1-methylindol-3-yl)methyl]benzohydrazide
PubChem CID167530599
Molecular FormulaC26H22Cl2N4O
Molecular Weight477.40 g/mol
Exact Mass476.12
IUPAC Name4-[bis(5-chloro-1-methylindol-3-yl)methyl]benzohydrazide
SMILESCn1cc(C(c2ccc(C(=O)NN)cc2)c2cn(C)c3ccc(Cl)cc23)c2cc(Cl)ccc21
InChIInChI=1S/C26H22Cl2N4O/c1-31-13-21(19-11-17(27)7-9-23(19)31)25(15-3-5-16(6-4-15)26(33)30-29)22-14-32(2)24-10-8-18(28)12-20(22)24/h3-14,25H,29H2,1-2H3,(H,30,33)
InChIKeyXRJNIUOQOGXMET-UHFFFAOYSA-N
XLogP5.76
TPSA64.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.40
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[bis(5-chloro-1-methylindol-3-yl)methyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[bis(5-chloro-1-methylindol-3-yl)methyl]benzohydrazide?
The IUPAC name of 4-[bis(5-chloro-1-methylindol-3-yl)methyl]benzohydrazide (CID 167530599) is 4-[bis(5-chloro-1-methylindol-3-yl)methyl]benzohydrazide.
What is the SMILES notation for 4-[bis(5-chloro-1-methylindol-3-yl)methyl]benzohydrazide?
The canonical SMILES for 4-[bis(5-chloro-1-methylindol-3-yl)methyl]benzohydrazide is Cn1cc(C(c2ccc(C(=O)NN)cc2)c2cn(C)c3ccc(Cl)cc23)c2cc(Cl)ccc21.
What is the InChIKey of 4-[bis(5-chloro-1-methylindol-3-yl)methyl]benzohydrazide?
The InChIKey is XRJNIUOQOGXMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N4O/c1-31-13-21(19-11-17(27)7-9-23(19)31)25(15-3-5-16(6-4-15)26(33)30-29)22-14-32(2)24-10-8-18(28)12-20(22)24/h3-14,25H,29H2,1-2H3,(H,30,33).
What are the key properties of 4-[bis(5-chloro-1-methylindol-3-yl)methyl]benzohydrazide?
4-[bis(5-chloro-1-methylindol-3-yl)methyl]benzohydrazide has a molecular weight of 477.40 g/mol, XLogP of 5.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(5-chloro-1-methylindol-3-yl)methyl]benzohydrazide is sourced from PubChem (CID 167530599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).