4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide

C22H19N5O4 — CID 11350580

IUPAC4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1
InChIInChI=1S/C22H19N5O4/c1-25(2)17-9-5-15(6-10-17)22(28)23-16-7-3-14(4-8-16)21-24-19-12-11-18(27(30)31)13-20(19)26(21)29/h3-13,29H,1-2H3,(H,23,28)
InChIKeyDCVRZNGVYDVFLV-UHFFFAOYSA-N
MW417.43 g/mol
LogP4.17
Rot. Bonds5

About 4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide

4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide (PubChem CID 11350580) has the molecular formula C22H19N5O4 and a molecular weight of 417.43 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
PubChem CID11350580
Molecular FormulaC22H19N5O4
Molecular Weight417.43 g/mol
Exact Mass417.14
IUPAC Name4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1
InChIInChI=1S/C22H19N5O4/c1-25(2)17-9-5-15(6-10-17)22(28)23-16-7-3-14(4-8-16)21-24-19-12-11-18(27(30)31)13-20(19)26(21)29/h3-13,29H,1-2H3,(H,23,28)
InChIKeyDCVRZNGVYDVFLV-UHFFFAOYSA-N
XLogP4.17
TPSA113.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide 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-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide (CID 11350580) is 4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide is CN(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide?
The InChIKey is DCVRZNGVYDVFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O4/c1-25(2)17-9-5-15(6-10-17)22(28)23-16-7-3-14(4-8-16)21-24-19-12-11-18(27(30)31)13-20(19)26(21)29/h3-13,29H,1-2H3,(H,23,28).
What are the key properties of 4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide?
4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide has a molecular weight of 417.43 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 11350580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).