1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]methanone

C24H27N3O6 — CID 4671505

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]methanone
SMILESCOc1cc(-n2cnc3cc(C(=O)N4CCC5(CC4)OCCO5)ccc32)cc(OC)c1OC
InChIInChI=1S/C24H27N3O6/c1-29-20-13-17(14-21(30-2)22(20)31-3)27-15-25-18-12-16(4-5-19(18)27)23(28)26-8-6-24(7-9-26)32-10-11-33-24/h4-5,12-15H,6-11H2,1-3H3
InChIKeyPPLZMROVDGXNNE-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.03
Rot. Bonds5

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]methanone (PubChem CID 4671505) has the molecular formula C24H27N3O6 and a molecular weight of 453.50 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]methanone
PubChem CID4671505
Molecular FormulaC24H27N3O6
Molecular Weight453.50 g/mol
Exact Mass453.19
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]methanone
SMILESCOc1cc(-n2cnc3cc(C(=O)N4CCC5(CC4)OCCO5)ccc32)cc(OC)c1OC
InChIInChI=1S/C24H27N3O6/c1-29-20-13-17(14-21(30-2)22(20)31-3)27-15-25-18-12-16(4-5-19(18)27)23(28)26-8-6-24(7-9-26)32-10-11-33-24/h4-5,12-15H,6-11H2,1-3H3
InChIKeyPPLZMROVDGXNNE-UHFFFAOYSA-N
XLogP3.03
TPSA84.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3,4,5-trimethoxyphenyl)methanone
CID 90510481
(1-cycloheptylbenzimidazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 3245353
(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 163308579
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanone
CID 46277257
N-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide
CID 5235716
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)benzamide
CID 109055730
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone
CID 17250139
[1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 71307830
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109088591
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051667
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4,5,6-trimethoxy-1H-indol-2-yl)methanone
CID 4893817
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-methyl-3-pyridinyl)methanone
CID 10445416

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]methanone (CID 4671505) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]methanone is COc1cc(-n2cnc3cc(C(=O)N4CCC5(CC4)OCCO5)ccc32)cc(OC)c1OC.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]methanone?
The InChIKey is PPLZMROVDGXNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6/c1-29-20-13-17(14-21(30-2)22(20)31-3)27-15-25-18-12-16(4-5-19(18)27)23(28)26-8-6-24(7-9-26)32-10-11-33-24/h4-5,12-15H,6-11H2,1-3H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]methanone has a molecular weight of 453.50 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]methanone is sourced from PubChem (CID 4671505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).