N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide

C17H16BrFN4O2 — CID 8676676

IUPACN-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br)Cc1ccc(F)cc1
InChIInChI=1S/C17H16BrFN4O2/c1-23(8-10-2-4-11(19)5-3-10)9-16(24)20-13-7-15-14(6-12(13)18)21-17(25)22-15/h2-7H,8-9H2,1H3,(H,20,24)(H2,21,22,25)
InChIKeyLYVWLUHBHKWIID-UHFFFAOYSA-N
MW407.24 g/mol
LogP2.83
Rot. Bonds5

About N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide

N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 8676676) has the molecular formula C17H16BrFN4O2 and a molecular weight of 407.24 g/mol. Its IUPAC name is N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
PubChem CID8676676
Molecular FormulaC17H16BrFN4O2
Molecular Weight407.24 g/mol
Exact Mass406.04
IUPAC NameN-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br)Cc1ccc(F)cc1
InChIInChI=1S/C17H16BrFN4O2/c1-23(8-10-2-4-11(19)5-3-10)9-16(24)20-13-7-15-14(6-12(13)18)21-17(25)22-15/h2-7H,8-9H2,1H3,(H,20,24)(H2,21,22,25)
InChIKeyLYVWLUHBHKWIID-UHFFFAOYSA-N
XLogP2.83
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.24
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 117749654
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CID 118896455

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide (CID 8676676) is N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide is CN(CC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br)Cc1ccc(F)cc1.
What is the InChIKey of N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is LYVWLUHBHKWIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN4O2/c1-23(8-10-2-4-11(19)5-3-10)9-16(24)20-13-7-15-14(6-12(13)18)21-17(25)22-15/h2-7H,8-9H2,1H3,(H,20,24)(H2,21,22,25).
What are the key properties of N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 407.24 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 8676676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).