N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide

C22H26FN3O2 — CID 118938389

IUPACN-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(C(C)(C)O)cc2n1-c1ccc(F)cc1
InChIInChI=1S/C22H26FN3O2/c1-21(2,3)13-19(27)25-20-24-17-11-6-14(22(4,5)28)12-18(17)26(20)16-9-7-15(23)8-10-16/h6-12,28H,13H2,1-5H3,(H,24,25,27)
InChIKeyGOLPFTOMZHGPPD-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.77
Rot. Bonds4

About N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide

N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 118938389) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
PubChem CID118938389
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(C(C)(C)O)cc2n1-c1ccc(F)cc1
InChIInChI=1S/C22H26FN3O2/c1-21(2,3)13-19(27)25-20-24-17-11-6-14(22(4,5)28)12-18(17)26(20)16-9-7-15(23)8-10-16/h6-12,28H,13H2,1-5H3,(H,24,25,27)
InChIKeyGOLPFTOMZHGPPD-UHFFFAOYSA-N
XLogP4.77
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide (CID 118938389) is N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2ccc(C(C)(C)O)cc2n1-c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The InChIKey is GOLPFTOMZHGPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-21(2,3)13-19(27)25-20-24-17-11-6-14(22(4,5)28)12-18(17)26(20)16-9-7-15(23)8-10-16/h6-12,28H,13H2,1-5H3,(H,24,25,27).
What are the key properties of N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 383.47 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 118938389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).