3H-benzimidazol-5-yl(spiro[indene-1,4'-piperidine]-1'-yl)methanone

C21H19N3O — CID 11580728

IUPAC3H-benzimidazol-5-yl(spiro[indene-1,4'-piperidine]-1'-yl)methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C21H19N3O/c25-20(16-5-6-18-19(13-16)23-14-22-18)24-11-9-21(10-12-24)8-7-15-3-1-2-4-17(15)21/h1-8,13-14H,9-12H2,(H,22,23)
InChIKeyDYBKUJQGUPRDPK-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.76
Rot. Bonds1

About 3H-benzimidazol-5-yl(spiro[indene-1,4'-piperidine]-1'-yl)methanone

3H-benzimidazol-5-yl(spiro[indene-1,4'-piperidine]-1'-yl)methanone (PubChem CID 11580728) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl(spiro[indene-1,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl(spiro[indene-1,4'-piperidine]-1'-yl)methanone
PubChem CID11580728
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name3H-benzimidazol-5-yl(spiro[indene-1,4'-piperidine]-1'-yl)methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C21H19N3O/c25-20(16-5-6-18-19(13-16)23-14-22-18)24-11-9-21(10-12-24)8-7-15-3-1-2-4-17(15)21/h1-8,13-14H,9-12H2,(H,22,23)
InChIKeyDYBKUJQGUPRDPK-UHFFFAOYSA-N
XLogP3.76
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3H-benzimidazol-5-yl-(4,4-dimethylazepan-1-yl)methanone
CID 65282069
1-(3H-benzimidazole-5-carbonyl)piperidin-4-one
CID 110483748
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
3H-benzimidazol-5-yl-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43582193
3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 37092543
1-[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60712264
3H-benzimidazol-5-yl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110814747
3H-benzimidazol-5-yl-(2,3-diphenyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 59686161
1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 38453817
(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 151278351
[4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3H-benzimidazol-5-yl)methanone
CID 126783994
3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90586479

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl(spiro[indene-1,4'-piperidine]-1'-yl)methanone?
The IUPAC name of 3H-benzimidazol-5-yl(spiro[indene-1,4'-piperidine]-1'-yl)methanone (CID 11580728) is 3H-benzimidazol-5-yl(spiro[indene-1,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl(spiro[indene-1,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for 3H-benzimidazol-5-yl(spiro[indene-1,4'-piperidine]-1'-yl)methanone is O=C(c1ccc2nc[nH]c2c1)N1CCC2(C=Cc3ccccc32)CC1.
What is the InChIKey of 3H-benzimidazol-5-yl(spiro[indene-1,4'-piperidine]-1'-yl)methanone?
The InChIKey is DYBKUJQGUPRDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c25-20(16-5-6-18-19(13-16)23-14-22-18)24-11-9-21(10-12-24)8-7-15-3-1-2-4-17(15)21/h1-8,13-14H,9-12H2,(H,22,23).
What are the key properties of 3H-benzimidazol-5-yl(spiro[indene-1,4'-piperidine]-1'-yl)methanone?
3H-benzimidazol-5-yl(spiro[indene-1,4'-piperidine]-1'-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl(spiro[indene-1,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 11580728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).