1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-propan-2-ylbenzimidazol-5-yl)ethanone

C19H25N3O3 — CID 110773059

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-propan-2-ylbenzimidazol-5-yl)ethanone
SMILESCC(C)n1cnc2cc(CC(=O)N3CCC4(CC3)OCCO4)ccc21
InChIInChI=1S/C19H25N3O3/c1-14(2)22-13-20-16-11-15(3-4-17(16)22)12-18(23)21-7-5-19(6-8-21)24-9-10-25-19/h3-4,11,13-14H,5-10,12H2,1-2H3
InChIKeyPCOYRMAVOZGNGN-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.53
Rot. Bonds3

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-propan-2-ylbenzimidazol-5-yl)ethanone

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-propan-2-ylbenzimidazol-5-yl)ethanone (PubChem CID 110773059) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-propan-2-ylbenzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-propan-2-ylbenzimidazol-5-yl)ethanone
PubChem CID110773059
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-propan-2-ylbenzimidazol-5-yl)ethanone
SMILESCC(C)n1cnc2cc(CC(=O)N3CCC4(CC3)OCCO4)ccc21
InChIInChI=1S/C19H25N3O3/c1-14(2)22-13-20-16-11-15(3-4-17(16)22)12-18(23)21-7-5-19(6-8-21)24-9-10-25-19/h3-4,11,13-14H,5-10,12H2,1-2H3
InChIKeyPCOYRMAVOZGNGN-UHFFFAOYSA-N
XLogP2.53
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-propan-2-ylbenzimidazol-5-yl)ethanone
CID 110773051
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethanone
CID 110773832
2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110772869
(1-propan-2-ylbenzimidazol-5-yl)methanol
CID 68642679
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-methylpyrrol-3-yl)ethanone
CID 110768958
N-pentyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773064
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-piperidin-1-ylphenyl)ethanone
CID 110648813
methyl 4-[2-(1-methylbenzimidazol-5-yl)acetyl]piperazine-1-carboxylate
CID 110803452
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2,4,5-trimethylphenyl)ethanone
CID 110769614
ethyl 4-[2-(1-methylbenzimidazol-5-yl)acetyl]piperazine-1-carboxylate
CID 110772928
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785932
2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 50844785

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-propan-2-ylbenzimidazol-5-yl)ethanone?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-propan-2-ylbenzimidazol-5-yl)ethanone (CID 110773059) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-propan-2-ylbenzimidazol-5-yl)ethanone.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-propan-2-ylbenzimidazol-5-yl)ethanone?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-propan-2-ylbenzimidazol-5-yl)ethanone is CC(C)n1cnc2cc(CC(=O)N3CCC4(CC3)OCCO4)ccc21.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-propan-2-ylbenzimidazol-5-yl)ethanone?
The InChIKey is PCOYRMAVOZGNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14(2)22-13-20-16-11-15(3-4-17(16)22)12-18(23)21-7-5-19(6-8-21)24-9-10-25-19/h3-4,11,13-14H,5-10,12H2,1-2H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-propan-2-ylbenzimidazol-5-yl)ethanone?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-propan-2-ylbenzimidazol-5-yl)ethanone has a molecular weight of 343.43 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-propan-2-ylbenzimidazol-5-yl)ethanone is sourced from PubChem (CID 110773059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).