3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide

C15H20FN3O2 — CID 111831412

IUPAC3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
SMILESCN(CC(C)(C)O)C(=O)CCc1nc2c(F)cccc2[nH]1
InChIInChI=1S/C15H20FN3O2/c1-15(2,21)9-19(3)13(20)8-7-12-17-11-6-4-5-10(16)14(11)18-12/h4-6,21H,7-9H2,1-3H3,(H,17,18)
InChIKeyVQKSVUYTPPPVQD-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.86
Rot. Bonds5

About 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide

3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide (PubChem CID 111831412) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
PubChem CID111831412
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
SMILESCN(CC(C)(C)O)C(=O)CCc1nc2c(F)cccc2[nH]1
InChIInChI=1S/C15H20FN3O2/c1-15(2,21)9-19(3)13(20)8-7-12-17-11-6-4-5-10(16)14(11)18-12/h4-6,21H,7-9H2,1-3H3,(H,17,18)
InChIKeyVQKSVUYTPPPVQD-UHFFFAOYSA-N
XLogP1.86
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The IUPAC name of 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide (CID 111831412) is 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide.
What is the SMILES notation for 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The canonical SMILES for 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide is CN(CC(C)(C)O)C(=O)CCc1nc2c(F)cccc2[nH]1.
What is the InChIKey of 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The InChIKey is VQKSVUYTPPPVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-15(2,21)9-19(3)13(20)8-7-12-17-11-6-4-5-10(16)14(11)18-12/h4-6,21H,7-9H2,1-3H3,(H,17,18).
What are the key properties of 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide has a molecular weight of 293.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide is sourced from PubChem (CID 111831412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).