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

C21H19N5O2 — CID 70324748

IUPAC4-[(5-amino-2-oxo-3H-benzimidazol-1-yl)methyl]-N-(2-aminophenyl)benzamide
SMILESNc1ccc2c(c1)[nH]c(=O)n2Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C21H19N5O2/c22-15-9-10-19-18(11-15)25-21(28)26(19)12-13-5-7-14(8-6-13)20(27)24-17-4-2-1-3-16(17)23/h1-11H,12,22-23H2,(H,24,27)(H,25,28)
InChIKeyJNPCZMPRFZZQRK-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.79
Rot. Bonds4

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

4-[(5-amino-2-oxo-3H-benzimidazol-1-yl)methyl]-N-(2-aminophenyl)benzamide (PubChem CID 70324748) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 4-[(5-amino-2-oxo-3H-benzimidazol-1-yl)methyl]-N-(2-aminophenyl)benzamide.

Molecular Properties

Compound Name4-[(5-amino-2-oxo-3H-benzimidazol-1-yl)methyl]-N-(2-aminophenyl)benzamide
PubChem CID70324748
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name4-[(5-amino-2-oxo-3H-benzimidazol-1-yl)methyl]-N-(2-aminophenyl)benzamide
SMILESNc1ccc2c(c1)[nH]c(=O)n2Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C21H19N5O2/c22-15-9-10-19-18(11-15)25-21(28)26(19)12-13-5-7-14(8-6-13)20(27)24-17-4-2-1-3-16(17)23/h1-11H,12,22-23H2,(H,24,27)(H,25,28)
InChIKeyJNPCZMPRFZZQRK-UHFFFAOYSA-N
XLogP2.79
TPSA118.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.79
H-Bond Donors ≤ 54
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 4-[(5-amino-2-oxo-3H-benzimidazol-1-yl)methyl]-N-(2-aminophenyl)benzamide?
The IUPAC name of 4-[(5-amino-2-oxo-3H-benzimidazol-1-yl)methyl]-N-(2-aminophenyl)benzamide (CID 70324748) is 4-[(5-amino-2-oxo-3H-benzimidazol-1-yl)methyl]-N-(2-aminophenyl)benzamide.
What is the SMILES notation for 4-[(5-amino-2-oxo-3H-benzimidazol-1-yl)methyl]-N-(2-aminophenyl)benzamide?
The canonical SMILES for 4-[(5-amino-2-oxo-3H-benzimidazol-1-yl)methyl]-N-(2-aminophenyl)benzamide is Nc1ccc2c(c1)[nH]c(=O)n2Cc1ccc(C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of 4-[(5-amino-2-oxo-3H-benzimidazol-1-yl)methyl]-N-(2-aminophenyl)benzamide?
The InChIKey is JNPCZMPRFZZQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c22-15-9-10-19-18(11-15)25-21(28)26(19)12-13-5-7-14(8-6-13)20(27)24-17-4-2-1-3-16(17)23/h1-11H,12,22-23H2,(H,24,27)(H,25,28).
What are the key properties of 4-[(5-amino-2-oxo-3H-benzimidazol-1-yl)methyl]-N-(2-aminophenyl)benzamide?
4-[(5-amino-2-oxo-3H-benzimidazol-1-yl)methyl]-N-(2-aminophenyl)benzamide has a molecular weight of 373.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-2-oxo-3H-benzimidazol-1-yl)methyl]-N-(2-aminophenyl)benzamide is sourced from PubChem (CID 70324748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).