3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropan-1-one

C21H25N5O2 — CID 138810476

IUPAC3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropan-1-one
SMILESO=C(CCn1c(CO)nc2ccccc21)N1CCCC2(CCc3cn[nH]c32)C1
InChIInChI=1S/C21H25N5O2/c27-13-18-23-16-4-1-2-5-17(16)26(18)11-7-19(28)25-10-3-8-21(14-25)9-6-15-12-22-24-20(15)21/h1-2,4-5,12,27H,3,6-11,13-14H2,(H,22,24)
InChIKeySDHIMGSLNNHXLR-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.15
Rot. Bonds4

About 3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropan-1-one

3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropan-1-one (PubChem CID 138810476) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropan-1-one.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropan-1-one
PubChem CID138810476
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropan-1-one
SMILESO=C(CCn1c(CO)nc2ccccc21)N1CCCC2(CCc3cn[nH]c32)C1
InChIInChI=1S/C21H25N5O2/c27-13-18-23-16-4-1-2-5-17(16)26(18)11-7-19(28)25-10-3-8-21(14-25)9-6-15-12-22-24-20(15)21/h1-2,4-5,12,27H,3,6-11,13-14H2,(H,22,24)
InChIKeySDHIMGSLNNHXLR-UHFFFAOYSA-N
XLogP2.15
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropan-1-one 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

3-phenoxy-1-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropan-1-one
CID 138807778
2-(4-methylsulfonylphenyl)-1-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylethanone
CID 138810637
(5-methyl-2-phenyl-1H-imidazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138806015
3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-[4-(3-hydroxyphenyl)piperidin-1-yl]propan-1-one
CID 74237269
quinoxalin-6-yl(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl)methanone
CID 163306044
(2,6-dimethylpyrimidin-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138808621
[1-[3-[2-(hydroxymethyl)benzimidazol-1-yl]propanoyl]pyrrolidin-3-yl]methanesulfonamide
CID 118783915
N-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969925
(8-methylimidazo[1,2-a]pyridin-2-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138806654
2-(2-cyclopropylbenzimidazol-1-yl)-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone
CID 135104687
(3-fluoro-2-methoxyphenyl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138809919
1-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propan-1-one
CID 74234254

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropan-1-one?
The IUPAC name of 3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropan-1-one (CID 138810476) is 3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropan-1-one.
What is the SMILES notation for 3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropan-1-one?
The canonical SMILES for 3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropan-1-one is O=C(CCn1c(CO)nc2ccccc21)N1CCCC2(CCc3cn[nH]c32)C1.
What is the InChIKey of 3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropan-1-one?
The InChIKey is SDHIMGSLNNHXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c27-13-18-23-16-4-1-2-5-17(16)26(18)11-7-19(28)25-10-3-8-21(14-25)9-6-15-12-22-24-20(15)21/h1-2,4-5,12,27H,3,6-11,13-14H2,(H,22,24).
What are the key properties of 3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropan-1-one?
3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropan-1-one has a molecular weight of 379.46 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylpropan-1-one is sourced from PubChem (CID 138810476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).