4-[[[(1-benzyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide

C23H22N6O2 — CID 162663410

IUPAC4-[[[(1-benzyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CNC(c2ccccc2)c2nnnn2Cc2ccccc2)cc1
InChIInChI=1S/C23H22N6O2/c30-23(26-31)20-13-11-17(12-14-20)15-24-21(19-9-5-2-6-10-19)22-25-27-28-29(22)16-18-7-3-1-4-8-18/h1-14,21,24,31H,15-16H2,(H,26,30)
InChIKeySRPKLZQNSPTYPM-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.72
Rot. Bonds8

About 4-[[[(1-benzyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide

4-[[[(1-benzyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide (PubChem CID 162663410) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 4-[[[(1-benzyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[[(1-benzyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide
PubChem CID162663410
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name4-[[[(1-benzyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CNC(c2ccccc2)c2nnnn2Cc2ccccc2)cc1
InChIInChI=1S/C23H22N6O2/c30-23(26-31)20-13-11-17(12-14-20)15-24-21(19-9-5-2-6-10-19)22-25-27-28-29(22)16-18-7-3-1-4-8-18/h1-14,21,24,31H,15-16H2,(H,26,30)
InChIKeySRPKLZQNSPTYPM-UHFFFAOYSA-N
XLogP2.72
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[[[(1-benzyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide 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-[[[(1-benzyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[[(1-benzyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide (CID 162663410) is 4-[[[(1-benzyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[[(1-benzyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[[(1-benzyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CNC(c2ccccc2)c2nnnn2Cc2ccccc2)cc1.
What is the InChIKey of 4-[[[(1-benzyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide?
The InChIKey is SRPKLZQNSPTYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c30-23(26-31)20-13-11-17(12-14-20)15-24-21(19-9-5-2-6-10-19)22-25-27-28-29(22)16-18-7-3-1-4-8-18/h1-14,21,24,31H,15-16H2,(H,26,30).
What are the key properties of 4-[[[(1-benzyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide?
4-[[[(1-benzyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide has a molecular weight of 414.47 g/mol, XLogP of 2.72, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1-benzyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 162663410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).