N-(2-aminophenyl)-4-[(2-oxo-5-pyridin-4-yl-3H-benzimidazol-1-yl)methyl]benzamide

C26H21N5O2 — CID 11683515

IUPACN-(2-aminophenyl)-4-[(2-oxo-5-pyridin-4-yl-3H-benzimidazol-1-yl)methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(Cn2c(=O)[nH]c3cc(-c4ccncc4)ccc32)cc1
InChIInChI=1S/C26H21N5O2/c27-21-3-1-2-4-22(21)29-25(32)19-7-5-17(6-8-19)16-31-24-10-9-20(15-23(24)30-26(31)33)18-11-13-28-14-12-18/h1-15H,16,27H2,(H,29,32)(H,30,33)
InChIKeyPWWKQIAFABPWHT-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.27
Rot. Bonds5

About N-(2-aminophenyl)-4-[(2-oxo-5-pyridin-4-yl-3H-benzimidazol-1-yl)methyl]benzamide

N-(2-aminophenyl)-4-[(2-oxo-5-pyridin-4-yl-3H-benzimidazol-1-yl)methyl]benzamide (PubChem CID 11683515) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(2-oxo-5-pyridin-4-yl-3H-benzimidazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(2-oxo-5-pyridin-4-yl-3H-benzimidazol-1-yl)methyl]benzamide
PubChem CID11683515
Molecular FormulaC26H21N5O2
Molecular Weight435.49 g/mol
Exact Mass435.17
IUPAC NameN-(2-aminophenyl)-4-[(2-oxo-5-pyridin-4-yl-3H-benzimidazol-1-yl)methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(Cn2c(=O)[nH]c3cc(-c4ccncc4)ccc32)cc1
InChIInChI=1S/C26H21N5O2/c27-21-3-1-2-4-22(21)29-25(32)19-7-5-17(6-8-19)16-31-24-10-9-20(15-23(24)30-26(31)33)18-11-13-28-14-12-18/h1-15H,16,27H2,(H,29,32)(H,30,33)
InChIKeyPWWKQIAFABPWHT-UHFFFAOYSA-N
XLogP4.27
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(2-oxo-5-pyridin-4-yl-3H-benzimidazol-1-yl)methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(2-oxo-5-pyridin-4-yl-3H-benzimidazol-1-yl)methyl]benzamide (CID 11683515) is N-(2-aminophenyl)-4-[(2-oxo-5-pyridin-4-yl-3H-benzimidazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(2-oxo-5-pyridin-4-yl-3H-benzimidazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(2-oxo-5-pyridin-4-yl-3H-benzimidazol-1-yl)methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(Cn2c(=O)[nH]c3cc(-c4ccncc4)ccc32)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[(2-oxo-5-pyridin-4-yl-3H-benzimidazol-1-yl)methyl]benzamide?
The InChIKey is PWWKQIAFABPWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2/c27-21-3-1-2-4-22(21)29-25(32)19-7-5-17(6-8-19)16-31-24-10-9-20(15-23(24)30-26(31)33)18-11-13-28-14-12-18/h1-15H,16,27H2,(H,29,32)(H,30,33).
What are the key properties of N-(2-aminophenyl)-4-[(2-oxo-5-pyridin-4-yl-3H-benzimidazol-1-yl)methyl]benzamide?
N-(2-aminophenyl)-4-[(2-oxo-5-pyridin-4-yl-3H-benzimidazol-1-yl)methyl]benzamide has a molecular weight of 435.49 g/mol, XLogP of 4.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(2-oxo-5-pyridin-4-yl-3H-benzimidazol-1-yl)methyl]benzamide is sourced from PubChem (CID 11683515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).