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]spiro[2.3]hexane-2-carboxamide

C41H52F2N6O4 — CID 145041666

IUPACN-[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]spiro[2.3]hexane-2-carboxamide
SMILESCC(C)(O)c1ccc2nc(NC(=O)C3CC34CCC4)n(C3CCC3)c2c1.CC(C)(O)c1ccc2nc(NC(=O)C3CCC(F)(F)C3)n(C3CCC3)c2c1
InChIInChI=1S/C21H27N3O2.C20H25F2N3O2/c1-20(2,26)13-7-8-16-17(11-13)24(14-5-3-6-14)19(22-16)23-18(25)15-12-21(15)9-4-10-21;1-19(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/h7-8,11,14-15,26H,3-6,9-10,12H2,1-2H3,(H,22,23,25);6-7,10,12,14,27H,3-5,8-9,11H2,1-2H3,(H,23,24,26)
InChIKeyAIAUOMZVWUJLAQ-UHFFFAOYSA-N
MW730.90 g/mol
LogP8.48
Rot. Bonds8

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]spiro[2.3]hexane-2-carboxamide

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]spiro[2.3]hexane-2-carboxamide (PubChem CID 145041666) has the molecular formula C41H52F2N6O4 and a molecular weight of 730.90 g/mol. Its IUPAC name is 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]spiro[2.3]hexane-2-carboxamide.

Molecular Properties

Compound NameN-[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]spiro[2.3]hexane-2-carboxamide
PubChem CID145041666
Molecular FormulaC41H52F2N6O4
Molecular Weight730.90 g/mol
Exact Mass730.40
IUPAC NameN-[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]spiro[2.3]hexane-2-carboxamide
SMILESCC(C)(O)c1ccc2nc(NC(=O)C3CC34CCC4)n(C3CCC3)c2c1.CC(C)(O)c1ccc2nc(NC(=O)C3CCC(F)(F)C3)n(C3CCC3)c2c1
InChIInChI=1S/C21H27N3O2.C20H25F2N3O2/c1-20(2,26)13-7-8-16-17(11-13)24(14-5-3-6-14)19(22-16)23-18(25)15-12-21(15)9-4-10-21;1-19(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/h7-8,11,14-15,26H,3-6,9-10,12H2,1-2H3,(H,22,23,25);6-7,10,12,14,27H,3-5,8-9,11H2,1-2H3,(H,23,24,26)
InChIKeyAIAUOMZVWUJLAQ-UHFFFAOYSA-N
XLogP8.48
TPSA134.30 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.90
LogP ≤ 58.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 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]spiro[2.3]hexane-2-carboxamide with MolForge

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Related Compounds

(1S)-N-[7-fluoro-1-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 118938307
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide
CID 118938317
N-[1-(cyclobutadienyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide
CID 118938318
(3S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide
CID 118938362
(3S)-N-[1-(cyclobutadienyl)-6-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide
CID 118938364
N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide
CID 118938365
N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 118938389
(1S)-N-[1-cyclobutyl-7-fluoro-6-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 118938404
N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide
CID 118938410
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide
CID 118941504
N-[1-(3,5-difluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 129064805
N-[1-cyclobutyl-5-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 129064807

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;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide?
The IUPAC name 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]spiro[2.3]hexane-2-carboxamide (CID 145041666) is 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]spiro[2.3]hexane-2-carboxamide.
What is the SMILES notation for 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]spiro[2.3]hexane-2-carboxamide?
The canonical SMILES for 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]spiro[2.3]hexane-2-carboxamide is CC(C)(O)c1ccc2nc(NC(=O)C3CC34CCC4)n(C3CCC3)c2c1.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;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide?
The InChIKey is AIAUOMZVWUJLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.C20H25F2N3O2/c1-20(2,26)13-7-8-16-17(11-13)24(14-5-3-6-14)19(22-16)23-18(25)15-12-21(15)9-4-10-21;1-19(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/h7-8,11,14-15,26H,3-6,9-10,12H2,1-2H3,(H,22,23,25);6-7,10,12,14,27H,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]spiro[2.3]hexane-2-carboxamide?
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]spiro[2.3]hexane-2-carboxamide has a molecular weight of 730.90 g/mol, XLogP of 8.48, 8 rotatable bonds, 4 hydrogen bond donors, and 8 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;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]spiro[2.3]hexane-2-carboxamide is sourced from PubChem (CID 145041666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).