(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(1-methylbenzimidazol-5-yl)methanone

C18H23N3O3 — CID 139004659

IUPAC(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(1-methylbenzimidazol-5-yl)methanone
SMILESCn1cnc2cc(C(=O)N3CC(C)(C)OC4(CCOC4)C3)ccc21
InChIInChI=1S/C18H23N3O3/c1-17(2)9-21(10-18(24-17)6-7-23-11-18)16(22)13-4-5-15-14(8-13)19-12-20(15)3/h4-5,8,12H,6-7,9-11H2,1-3H3
InChIKeyPEVFBJOLQHVYIE-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.98
Rot. Bonds1

About (7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(1-methylbenzimidazol-5-yl)methanone

(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(1-methylbenzimidazol-5-yl)methanone (PubChem CID 139004659) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(1-methylbenzimidazol-5-yl)methanone.

Molecular Properties

Compound Name(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(1-methylbenzimidazol-5-yl)methanone
PubChem CID139004659
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(1-methylbenzimidazol-5-yl)methanone
SMILESCn1cnc2cc(C(=O)N3CC(C)(C)OC4(CCOC4)C3)ccc21
InChIInChI=1S/C18H23N3O3/c1-17(2)9-21(10-18(24-17)6-7-23-11-18)16(22)13-4-5-15-14(8-13)19-12-20(15)3/h4-5,8,12H,6-7,9-11H2,1-3H3
InChIKeyPEVFBJOLQHVYIE-UHFFFAOYSA-N
XLogP1.98
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(1-methylbenzimidazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methylbenzimidazol-5-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone
CID 136554374
(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(3-methyl-4-pyrazol-1-ylphenyl)methanone
CID 128861623
5-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)-N-methylpyridine-2-carboxamide
CID 139007743
(3-ethyl-3-phenylazetidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 136547220
(4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 110692570
1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805585
3-(fluoromethyl)-1-(1-methylbenzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 154846849
1-methyl-N-[2-methyl-4-(morpholine-4-carbonyl)phenyl]benzimidazole-5-carboxamide
CID 136519385
[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110801207
(1-methylbenzimidazol-5-yl)-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 125169053
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
[1-(1-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 118789278

Frequently Asked Questions

What is the IUPAC name of (7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(1-methylbenzimidazol-5-yl)methanone?
The IUPAC name of (7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(1-methylbenzimidazol-5-yl)methanone (CID 139004659) is (7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(1-methylbenzimidazol-5-yl)methanone.
What is the SMILES notation for (7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(1-methylbenzimidazol-5-yl)methanone?
The canonical SMILES for (7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(1-methylbenzimidazol-5-yl)methanone is Cn1cnc2cc(C(=O)N3CC(C)(C)OC4(CCOC4)C3)ccc21.
What is the InChIKey of (7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(1-methylbenzimidazol-5-yl)methanone?
The InChIKey is PEVFBJOLQHVYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-17(2)9-21(10-18(24-17)6-7-23-11-18)16(22)13-4-5-15-14(8-13)19-12-20(15)3/h4-5,8,12H,6-7,9-11H2,1-3H3.
What are the key properties of (7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(1-methylbenzimidazol-5-yl)methanone?
(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(1-methylbenzimidazol-5-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(1-methylbenzimidazol-5-yl)methanone is sourced from PubChem (CID 139004659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).