N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide

C20H25F2N3O2 — CID 118938317

IUPACN-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide
SMILESCC(C)(O)c1ccc2nc(NC(=O)C3CCC(F)(F)C3)n(C3CCC3)c2c1
InChIInChI=1S/C20H25F2N3O2/c1-19(2,27)13-6-7-15-16(10-13)25(14-4-3-5-14)18(23-15)24-17(26)12-8-9-20(21,22)11-12/h6-7,10,12,14,27H,3-5,8-9,11H2,1-2H3,(H,23,24,26)
InChIKeyHRIZHWGWYVCXAR-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.36
Rot. Bonds4

About N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide

N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide (PubChem CID 118938317) has the molecular formula C20H25F2N3O2 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide
PubChem CID118938317
Molecular FormulaC20H25F2N3O2
Molecular Weight377.44 g/mol
Exact Mass377.19
IUPAC NameN-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide
SMILESCC(C)(O)c1ccc2nc(NC(=O)C3CCC(F)(F)C3)n(C3CCC3)c2c1
InChIInChI=1S/C20H25F2N3O2/c1-19(2,27)13-6-7-15-16(10-13)25(14-4-3-5-14)18(23-15)24-17(26)12-8-9-20(21,22)11-12/h6-7,10,12,14,27H,3-5,8-9,11H2,1-2H3,(H,23,24,26)
InChIKeyHRIZHWGWYVCXAR-UHFFFAOYSA-N
XLogP4.36
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide?
The IUPAC name of N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide (CID 118938317) is N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide?
The canonical SMILES for N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide is CC(C)(O)c1ccc2nc(NC(=O)C3CCC(F)(F)C3)n(C3CCC3)c2c1.
What is the InChIKey of N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide?
The InChIKey is HRIZHWGWYVCXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O2/c1-19(2,27)13-6-7-15-16(10-13)25(14-4-3-5-14)18(23-15)24-17(26)12-8-9-20(21,22)11-12/h6-7,10,12,14,27H,3-5,8-9,11H2,1-2H3,(H,23,24,26).
What are the key properties of N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide?
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide is sourced from PubChem (CID 118938317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).