(1S,2S)-1-(5,6-dimethylbenzimidazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C22H25N3O — CID 133128337

IUPAC(1S,2S)-1-(5,6-dimethylbenzimidazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCc1cc2ncn([C@H]3c4ccccc4C4(CCNCC4)[C@@H]3O)c2cc1C
InChIInChI=1S/C22H25N3O/c1-14-11-18-19(12-15(14)2)25(13-24-18)20-16-5-3-4-6-17(16)22(21(20)26)7-9-23-10-8-22/h3-6,11-13,20-21,23,26H,7-10H2,1-2H3/t20-,21+/m0/s1
InChIKeyJJGWKLKHLNDGJN-LEWJYISDSA-N
MW347.46 g/mol
LogP3.24
Rot. Bonds1

About (1S,2S)-1-(5,6-dimethylbenzimidazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1S,2S)-1-(5,6-dimethylbenzimidazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 133128337) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is (1S,2S)-1-(5,6-dimethylbenzimidazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-(5,6-dimethylbenzimidazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID133128337
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name(1S,2S)-1-(5,6-dimethylbenzimidazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCc1cc2ncn([C@H]3c4ccccc4C4(CCNCC4)[C@@H]3O)c2cc1C
InChIInChI=1S/C22H25N3O/c1-14-11-18-19(12-15(14)2)25(13-24-18)20-16-5-3-4-6-17(16)22(21(20)26)7-9-23-10-8-22/h3-6,11-13,20-21,23,26H,7-10H2,1-2H3/t20-,21+/m0/s1
InChIKeyJJGWKLKHLNDGJN-LEWJYISDSA-N
XLogP3.24
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R)-1-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 29028308
(1S,2R)-spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol
CID 131859580
(1R,2R)-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 30882023
(1S,2S)-1-[4-(aminomethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 133128985
(1S,2S)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 133116592
(1R,2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 30957280
(1R,2R)-1-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 31015982
(1R,2R)-1-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 31125898
(1R,2R)-1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 28954987
N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 56894795
(1R,2R)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 31192833
(1S,2S)-1-[4-(2-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 133121224

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(5,6-dimethylbenzimidazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1S,2S)-1-(5,6-dimethylbenzimidazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 133128337) is (1S,2S)-1-(5,6-dimethylbenzimidazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1S,2S)-1-(5,6-dimethylbenzimidazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1S,2S)-1-(5,6-dimethylbenzimidazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is Cc1cc2ncn([C@H]3c4ccccc4C4(CCNCC4)[C@@H]3O)c2cc1C.
What is the InChIKey of (1S,2S)-1-(5,6-dimethylbenzimidazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is JJGWKLKHLNDGJN-LEWJYISDSA-N. The full InChI is InChI=1S/C22H25N3O/c1-14-11-18-19(12-15(14)2)25(13-24-18)20-16-5-3-4-6-17(16)22(21(20)26)7-9-23-10-8-22/h3-6,11-13,20-21,23,26H,7-10H2,1-2H3/t20-,21+/m0/s1.
What are the key properties of (1S,2S)-1-(5,6-dimethylbenzimidazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1S,2S)-1-(5,6-dimethylbenzimidazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 347.46 g/mol, XLogP of 3.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(5,6-dimethylbenzimidazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 133128337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).