6-methyl-8-(1-methylbenzimidazol-2-yl)-5-oxa-8-azaspiro[3.5]nonane

C16H21N3O — CID 138001217

IUPAC6-methyl-8-(1-methylbenzimidazol-2-yl)-5-oxa-8-azaspiro[3.5]nonane
SMILESCC1CN(c2nc3ccccc3n2C)CC2(CCC2)O1
InChIInChI=1S/C16H21N3O/c1-12-10-19(11-16(20-12)8-5-9-16)15-17-13-6-3-4-7-14(13)18(15)2/h3-4,6-7,12H,5,8-11H2,1-2H3
InChIKeySCFBWHGULKKBQS-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.72
Rot. Bonds1

About 6-methyl-8-(1-methylbenzimidazol-2-yl)-5-oxa-8-azaspiro[3.5]nonane

6-methyl-8-(1-methylbenzimidazol-2-yl)-5-oxa-8-azaspiro[3.5]nonane (PubChem CID 138001217) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-methyl-8-(1-methylbenzimidazol-2-yl)-5-oxa-8-azaspiro[3.5]nonane.

Molecular Properties

Compound Name6-methyl-8-(1-methylbenzimidazol-2-yl)-5-oxa-8-azaspiro[3.5]nonane
PubChem CID138001217
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-methyl-8-(1-methylbenzimidazol-2-yl)-5-oxa-8-azaspiro[3.5]nonane
SMILESCC1CN(c2nc3ccccc3n2C)CC2(CCC2)O1
InChIInChI=1S/C16H21N3O/c1-12-10-19(11-16(20-12)8-5-9-16)15-17-13-6-3-4-7-14(13)18(15)2/h3-4,6-7,12H,5,8-11H2,1-2H3
InChIKeySCFBWHGULKKBQS-UHFFFAOYSA-N
XLogP2.72
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,6S)-4-(1H-benzimidazol-2-yl)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecane
CID 124887240
2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole
CID 122270125
(3S)-3-hydroxy-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 129483783
2-(3,3-dimethylpiperazin-1-yl)-1-methylbenzimidazole
CID 82993712
8-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane
CID 138001216
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole
CID 22636344
1-methyl-2-[(3S)-3-propan-2-ylpiperazin-1-yl]benzimidazole
CID 129391666
[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166603413
1-methyl-2-[5-(2-methylpropylsulfonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]benzimidazole
CID 154581406
1-methyl-2-[3-(triazol-1-yl)azetidin-1-yl]benzimidazole
CID 121183826
[1-(1-methylbenzimidazol-2-yl)cyclobutyl]methanamine
CID 115445727
3-methyl-5-[[5-(1-methylbenzimidazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2,4-oxadiazole
CID 154580552

Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-(1-methylbenzimidazol-2-yl)-5-oxa-8-azaspiro[3.5]nonane?
The IUPAC name of 6-methyl-8-(1-methylbenzimidazol-2-yl)-5-oxa-8-azaspiro[3.5]nonane (CID 138001217) is 6-methyl-8-(1-methylbenzimidazol-2-yl)-5-oxa-8-azaspiro[3.5]nonane.
What is the SMILES notation for 6-methyl-8-(1-methylbenzimidazol-2-yl)-5-oxa-8-azaspiro[3.5]nonane?
The canonical SMILES for 6-methyl-8-(1-methylbenzimidazol-2-yl)-5-oxa-8-azaspiro[3.5]nonane is CC1CN(c2nc3ccccc3n2C)CC2(CCC2)O1.
What is the InChIKey of 6-methyl-8-(1-methylbenzimidazol-2-yl)-5-oxa-8-azaspiro[3.5]nonane?
The InChIKey is SCFBWHGULKKBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-10-19(11-16(20-12)8-5-9-16)15-17-13-6-3-4-7-14(13)18(15)2/h3-4,6-7,12H,5,8-11H2,1-2H3.
What are the key properties of 6-methyl-8-(1-methylbenzimidazol-2-yl)-5-oxa-8-azaspiro[3.5]nonane?
6-methyl-8-(1-methylbenzimidazol-2-yl)-5-oxa-8-azaspiro[3.5]nonane has a molecular weight of 271.36 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-(1-methylbenzimidazol-2-yl)-5-oxa-8-azaspiro[3.5]nonane is sourced from PubChem (CID 138001217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).