N-(2-aminophenyl)-4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide

C21H19N5O2 — CID 22478912

IUPACN-(2-aminophenyl)-4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C21H19N5O2/c22-16-3-1-2-4-17(16)24-20(27)14-7-5-13(6-8-14)12-23-15-9-10-18-19(11-15)26-21(28)25-18/h1-11,23H,12,22H2,(H,24,27)(H2,25,26,28)
InChIKeyADYHLDJOXSLUAS-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.30
Rot. Bonds5

About N-(2-aminophenyl)-4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide

N-(2-aminophenyl)-4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide (PubChem CID 22478912) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide
PubChem CID22478912
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-(2-aminophenyl)-4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C21H19N5O2/c22-16-3-1-2-4-17(16)24-20(27)14-7-5-13(6-8-14)12-23-15-9-10-18-19(11-15)26-21(28)25-18/h1-11,23H,12,22H2,(H,24,27)(H2,25,26,28)
InChIKeyADYHLDJOXSLUAS-UHFFFAOYSA-N
XLogP3.30
TPSA115.80 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_A(5)', 'substructure': 'N/A'}, {'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-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide (CID 22478912) is N-(2-aminophenyl)-4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide?
The InChIKey is ADYHLDJOXSLUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c22-16-3-1-2-4-17(16)24-20(27)14-7-5-13(6-8-14)12-23-15-9-10-18-19(11-15)26-21(28)25-18/h1-11,23H,12,22H2,(H,24,27)(H2,25,26,28).
What are the key properties of N-(2-aminophenyl)-4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide?
N-(2-aminophenyl)-4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide has a molecular weight of 373.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide is sourced from PubChem (CID 22478912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).