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

C21H17FN4O2 — CID 11675218

IUPACN-(2-aminophenyl)-4-[(5-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(Cn2c(=O)[nH]c3cc(F)ccc32)cc1
InChIInChI=1S/C21H17FN4O2/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,12,23H2,(H,24,27)(H,25,28)
InChIKeyOCBHGMSYROPETG-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.35
Rot. Bonds4

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

N-(2-aminophenyl)-4-[(5-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide (PubChem CID 11675218) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(5-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(5-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide
PubChem CID11675218
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC NameN-(2-aminophenyl)-4-[(5-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(Cn2c(=O)[nH]c3cc(F)ccc32)cc1
InChIInChI=1S/C21H17FN4O2/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,12,23H2,(H,24,27)(H,25,28)
InChIKeyOCBHGMSYROPETG-UHFFFAOYSA-N
XLogP3.35
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(5-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(5-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide (CID 11675218) is N-(2-aminophenyl)-4-[(5-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(5-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(5-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(Cn2c(=O)[nH]c3cc(F)ccc32)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[(5-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide?
The InChIKey is OCBHGMSYROPETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/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,12,23H2,(H,24,27)(H,25,28).
What are the key properties of N-(2-aminophenyl)-4-[(5-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide?
N-(2-aminophenyl)-4-[(5-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide has a molecular weight of 376.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(5-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide is sourced from PubChem (CID 11675218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).