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

C22H29N3O3 — CID 3245353

IUPAC(1-cycloheptylbenzimidazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1ccc2c(c1)ncn2C1CCCCCC1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C22H29N3O3/c26-21(24-11-9-22(10-12-24)27-13-14-28-22)17-7-8-20-19(15-17)23-16-25(20)18-5-3-1-2-4-6-18/h7-8,15-16,18H,1-6,9-14H2
InChIKeyGMYAIAZTDBDYGE-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.91
Rot. Bonds2

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

(1-cycloheptylbenzimidazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 3245353) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is (1-cycloheptylbenzimidazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(1-cycloheptylbenzimidazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID3245353
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name(1-cycloheptylbenzimidazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1ccc2c(c1)ncn2C1CCCCCC1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C22H29N3O3/c26-21(24-11-9-22(10-12-24)27-13-14-28-22)17-7-8-20-19(15-17)23-16-25(20)18-5-3-1-2-4-6-18/h7-8,15-16,18H,1-6,9-14H2
InChIKeyGMYAIAZTDBDYGE-UHFFFAOYSA-N
XLogP3.91
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-cycloheptylbenzimidazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (1-cycloheptylbenzimidazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 3245353) is (1-cycloheptylbenzimidazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (1-cycloheptylbenzimidazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (1-cycloheptylbenzimidazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is O=C(c1ccc2c(c1)ncn2C1CCCCCC1)N1CCC2(CC1)OCCO2.
What is the InChIKey of (1-cycloheptylbenzimidazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is GMYAIAZTDBDYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c26-21(24-11-9-22(10-12-24)27-13-14-28-22)17-7-8-20-19(15-17)23-16-25(20)18-5-3-1-2-4-6-18/h7-8,15-16,18H,1-6,9-14H2.
What are the key properties of (1-cycloheptylbenzimidazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
(1-cycloheptylbenzimidazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 383.49 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cycloheptylbenzimidazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 3245353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).