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

C20H21F2N3O2 — CID 118938318

IUPACN-[1-(cyclobutadienyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide
SMILESCC(C)(O)c1ccc2nc(NC(=O)C3CCC(F)(F)C3)n(C3=CC=C3)c2c1
InChIInChI=1S/C20H21F2N3O2/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/h3-7,10,12,27H,8-9,11H2,1-2H3,(H,23,24,26)
InChIKeyIVVJCQLDGFUABR-UHFFFAOYSA-N
MW373.40 g/mol
LogP4.05
Rot. Bonds4

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

N-[1-(cyclobutadienyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide (PubChem CID 118938318) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is N-[1-(cyclobutadienyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclobutadienyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide
PubChem CID118938318
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC NameN-[1-(cyclobutadienyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide
SMILESCC(C)(O)c1ccc2nc(NC(=O)C3CCC(F)(F)C3)n(C3=CC=C3)c2c1
InChIInChI=1S/C20H21F2N3O2/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/h3-7,10,12,27H,8-9,11H2,1-2H3,(H,23,24,26)
InChIKeyIVVJCQLDGFUABR-UHFFFAOYSA-N
XLogP4.05
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(cyclobutadienyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(cyclobutadienyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide
CID 118938261
N-[1-(cyclobutadienyl)-6-(3-hydroxypentan-3-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide
CID 118938398
N-[1-(cyclobutadienyl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 118938438
N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide
CID 139487211
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,2-dimethylpropanamide
CID 118938286
N-[1-(1-bicyclo[1.1.1]pentanyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide
CID 139487162
(1S)-2,2-dimethyl-N-[1-(3-methyl-1,2-oxazol-5-yl)-6-(trifluoromethyl)benzimidazol-2-yl]cyclopropane-1-carboxamide
CID 118938182
ethyl 3-(cyclobutadienyl)-2-(3,3-dimethylbutanoylamino)benzimidazole-5-carboxylate
CID 118938358
2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide
CID 139487167
(3S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;(3S)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-[1-cyclobutyl-6-(3-hydroxypentan-3-yl)benzimidazol-2-yl]spiro[2.2]pentane-2-carboxamide;N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-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]spiro[2.2]pentane-2-carboxamide;N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 160941008
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide
CID 118938346
2-[3-(1-bicyclo[1.1.1]pentanyl)-2-methylbenzimidazol-5-yl]propan-2-ol
CID 139518237

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclobutadienyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide?
The IUPAC name of N-[1-(cyclobutadienyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide (CID 118938318) is N-[1-(cyclobutadienyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(cyclobutadienyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(cyclobutadienyl)-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(C3=CC=C3)c2c1.
What is the InChIKey of N-[1-(cyclobutadienyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide?
The InChIKey is IVVJCQLDGFUABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2/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/h3-7,10,12,27H,8-9,11H2,1-2H3,(H,23,24,26).
What are the key properties of N-[1-(cyclobutadienyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide?
N-[1-(cyclobutadienyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide has a molecular weight of 373.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclobutadienyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide is sourced from PubChem (CID 118938318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).