N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide

C24H21N5O4 — CID 4982395

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C24H21N5O4/c30-24(17-7-10-21(22(15-17)29(31)32)28-11-13-33-14-12-28)25-18-8-5-16(6-9-18)23-26-19-3-1-2-4-20(19)27-23/h1-10,15H,11-14H2,(H,25,30)(H,26,27)
InChIKeyRVEIKZDYDRTELJ-UHFFFAOYSA-N
MW443.46 g/mol
LogP4.23
Rot. Bonds5

About N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide (PubChem CID 4982395) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide
PubChem CID4982395
Molecular FormulaC24H21N5O4
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C24H21N5O4/c30-24(17-7-10-21(22(15-17)29(31)32)28-11-13-33-14-12-28)25-18-8-5-16(6-9-18)23-26-19-3-1-2-4-20(19)27-23/h1-10,15H,11-14H2,(H,25,30)(H,26,27)
InChIKeyRVEIKZDYDRTELJ-UHFFFAOYSA-N
XLogP4.23
TPSA113.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide 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 N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide (CID 4982395) is N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide?
The InChIKey is RVEIKZDYDRTELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c30-24(17-7-10-21(22(15-17)29(31)32)28-11-13-33-14-12-28)25-18-8-5-16(6-9-18)23-26-19-3-1-2-4-20(19)27-23/h1-10,15H,11-14H2,(H,25,30)(H,26,27).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide has a molecular weight of 443.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide is sourced from PubChem (CID 4982395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).