(3-methylbenzimidazol-4-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone

C17H21N3O2 — CID 128651253

IUPAC(3-methylbenzimidazol-4-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESCn1cnc2cccc(C(=O)N3CCCC4(CCOC4)C3)c21
InChIInChI=1S/C17H21N3O2/c1-19-12-18-14-5-2-4-13(15(14)19)16(21)20-8-3-6-17(10-20)7-9-22-11-17/h2,4-5,12H,3,6-11H2,1H3
InChIKeyQKQGFHVXHFVTRO-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.22
Rot. Bonds1

About (3-methylbenzimidazol-4-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone

(3-methylbenzimidazol-4-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone (PubChem CID 128651253) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (3-methylbenzimidazol-4-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(3-methylbenzimidazol-4-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
PubChem CID128651253
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(3-methylbenzimidazol-4-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESCn1cnc2cccc(C(=O)N3CCCC4(CCOC4)C3)c21
InChIInChI=1S/C17H21N3O2/c1-19-12-18-14-5-2-4-13(15(14)19)16(21)20-8-3-6-17(10-20)7-9-22-11-17/h2,4-5,12H,3,6-11H2,1H3
InChIKeyQKQGFHVXHFVTRO-UHFFFAOYSA-N
XLogP2.22
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 72863190
2-oxa-9-azaspiro[4.5]decan-9-yl-[2-(1,2,4-triazol-1-yl)phenyl]methanone
CID 72937033
[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 97148065
3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6-phenyl-1H-pyridin-2-one
CID 72876722
3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)benzimidazole-4-carboxamide
CID 154801960
(5-fluoro-1-methylindol-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 118786071
[3-(5-methyltetrazol-1-yl)phenyl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97118767
quinolin-5-yl-[11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 134074129
(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-8-ylmethanone
CID 134072815
[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]methanone
CID 97208911
[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 125168302
(E)-1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-3-phenylprop-2-en-1-one
CID 72880194

Frequently Asked Questions

What is the IUPAC name of (3-methylbenzimidazol-4-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (3-methylbenzimidazol-4-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone (CID 128651253) is (3-methylbenzimidazol-4-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (3-methylbenzimidazol-4-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (3-methylbenzimidazol-4-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone is Cn1cnc2cccc(C(=O)N3CCCC4(CCOC4)C3)c21.
What is the InChIKey of (3-methylbenzimidazol-4-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The InChIKey is QKQGFHVXHFVTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-19-12-18-14-5-2-4-13(15(14)19)16(21)20-8-3-6-17(10-20)7-9-22-11-17/h2,4-5,12H,3,6-11H2,1H3.
What are the key properties of (3-methylbenzimidazol-4-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
(3-methylbenzimidazol-4-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylbenzimidazol-4-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 128651253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).