4-[(2-methyl-1H-indol-3-yl)methyl]benzohydrazide

C17H17N3O — CID 144880058

IUPAC4-[(2-methyl-1H-indol-3-yl)methyl]benzohydrazide
SMILESCc1[nH]c2ccccc2c1Cc1ccc(C(=O)NN)cc1
InChIInChI=1S/C17H17N3O/c1-11-15(14-4-2-3-5-16(14)19-11)10-12-6-8-13(9-7-12)17(21)20-18/h2-9,19H,10,18H2,1H3,(H,20,21)
InChIKeyDKGLZODFTPQUGS-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.67
Rot. Bonds3

About 4-[(2-methyl-1H-indol-3-yl)methyl]benzohydrazide

4-[(2-methyl-1H-indol-3-yl)methyl]benzohydrazide (PubChem CID 144880058) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[(2-methyl-1H-indol-3-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(2-methyl-1H-indol-3-yl)methyl]benzohydrazide
PubChem CID144880058
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-[(2-methyl-1H-indol-3-yl)methyl]benzohydrazide
SMILESCc1[nH]c2ccccc2c1Cc1ccc(C(=O)NN)cc1
InChIInChI=1S/C17H17N3O/c1-11-15(14-4-2-3-5-16(14)19-11)10-12-6-8-13(9-7-12)17(21)20-18/h2-9,19H,10,18H2,1H3,(H,20,21)
InChIKeyDKGLZODFTPQUGS-UHFFFAOYSA-N
XLogP2.67
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(2-methyl-1H-indol-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

Related Compounds

4-[(2-methyl-1H-indol-3-yl)methyl]phenol
CID 21239687
4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776348
[4-[3-(2-methyl-1H-indol-3-yl)propyl]phenyl]-phenylmethanone
CID 151323459
3-amino-1-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 115193047
4-chloro-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide
CID 31899293
1-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]urea
CID 115169132
methyl 3-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxylate
CID 69324670
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
1-[4-(3-benzyl-1H-indol-2-yl)phenyl]ethanone
CID 101026071
(2S)-2-(methylamino)-3-(2-methyl-1H-indol-3-yl)propanoic acid
CID 67628327
5-bromo-N-[(2-methyl-1H-indol-3-yl)methyl]furan-2-carboxamide
CID 110794088
N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110833859

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1H-indol-3-yl)methyl]benzohydrazide?
The IUPAC name of 4-[(2-methyl-1H-indol-3-yl)methyl]benzohydrazide (CID 144880058) is 4-[(2-methyl-1H-indol-3-yl)methyl]benzohydrazide.
What is the SMILES notation for 4-[(2-methyl-1H-indol-3-yl)methyl]benzohydrazide?
The canonical SMILES for 4-[(2-methyl-1H-indol-3-yl)methyl]benzohydrazide is Cc1[nH]c2ccccc2c1Cc1ccc(C(=O)NN)cc1.
What is the InChIKey of 4-[(2-methyl-1H-indol-3-yl)methyl]benzohydrazide?
The InChIKey is DKGLZODFTPQUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-15(14-4-2-3-5-16(14)19-11)10-12-6-8-13(9-7-12)17(21)20-18/h2-9,19H,10,18H2,1H3,(H,20,21).
What are the key properties of 4-[(2-methyl-1H-indol-3-yl)methyl]benzohydrazide?
4-[(2-methyl-1H-indol-3-yl)methyl]benzohydrazide has a molecular weight of 279.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1H-indol-3-yl)methyl]benzohydrazide is sourced from PubChem (CID 144880058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).