6-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-benzimidazole-4-carboxamide

C13H16FN3O2 — CID 111698214

IUPAC6-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-benzimidazole-4-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C13H16FN3O2/c1-13(2,19)6-17(3)12(18)9-4-8(14)5-10-11(9)16-7-15-10/h4-5,7,19H,6H2,1-3H3,(H,15,16)
InChIKeyTUHFZBLTZIPOCI-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.54
Rot. Bonds3

About 6-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-benzimidazole-4-carboxamide

6-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-benzimidazole-4-carboxamide (PubChem CID 111698214) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 6-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-benzimidazole-4-carboxamide
PubChem CID111698214
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name6-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-benzimidazole-4-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C13H16FN3O2/c1-13(2,19)6-17(3)12(18)9-4-8(14)5-10-11(9)16-7-15-10/h4-5,7,19H,6H2,1-3H3,(H,15,16)
InChIKeyTUHFZBLTZIPOCI-UHFFFAOYSA-N
XLogP1.54
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-benzimidazole-4-carboxamide (CID 111698214) is 6-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-benzimidazole-4-carboxamide is CN(CC(C)(C)O)C(=O)c1cc(F)cc2[nH]cnc12.
What is the InChIKey of 6-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-benzimidazole-4-carboxamide?
The InChIKey is TUHFZBLTZIPOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-13(2,19)6-17(3)12(18)9-4-8(14)5-10-11(9)16-7-15-10/h4-5,7,19H,6H2,1-3H3,(H,15,16).
What are the key properties of 6-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-benzimidazole-4-carboxamide?
6-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-benzimidazole-4-carboxamide has a molecular weight of 265.29 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 111698214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).