N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide

C16H21F2N3O2 — CID 129064863

IUPACN-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
SMILESCC(C)(O)CC(=O)Nc1nc2ccc(F)c(F)c2n1C(C)(C)C
InChIInChI=1S/C16H21F2N3O2/c1-15(2,3)21-13-10(7-6-9(17)12(13)18)19-14(21)20-11(22)8-16(4,5)23/h6-7,23H,8H2,1-5H3,(H,19,20,22)
InChIKeyWOCBIFHAUSWYLK-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.17
Rot. Bonds3

About N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide

N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide (PubChem CID 129064863) has the molecular formula C16H21F2N3O2 and a molecular weight of 325.36 g/mol. Its IUPAC name is N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
PubChem CID129064863
Molecular FormulaC16H21F2N3O2
Molecular Weight325.36 g/mol
Exact Mass325.16
IUPAC NameN-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
SMILESCC(C)(O)CC(=O)Nc1nc2ccc(F)c(F)c2n1C(C)(C)C
InChIInChI=1S/C16H21F2N3O2/c1-15(2,3)21-13-10(7-6-9(17)12(13)18)19-14(21)20-11(22)8-16(4,5)23/h6-7,23H,8H2,1-5H3,(H,19,20,22)
InChIKeyWOCBIFHAUSWYLK-UHFFFAOYSA-N
XLogP3.17
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide?
The IUPAC name of N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide (CID 129064863) is N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide.
What is the SMILES notation for N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide?
The canonical SMILES for N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide is CC(C)(O)CC(=O)Nc1nc2ccc(F)c(F)c2n1C(C)(C)C.
What is the InChIKey of N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide?
The InChIKey is WOCBIFHAUSWYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O2/c1-15(2,3)21-13-10(7-6-9(17)12(13)18)19-14(21)20-11(22)8-16(4,5)23/h6-7,23H,8H2,1-5H3,(H,19,20,22).
What are the key properties of N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide?
N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide has a molecular weight of 325.36 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 129064863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).