[1-[(2-methoxyphenyl)methyl]benzimidazol-5-yl]-(2-oxa-7-azaspiro[3.4]octan-7-yl)methanone

C22H23N3O3 — CID 136554130

IUPAC[1-[(2-methoxyphenyl)methyl]benzimidazol-5-yl]-(2-oxa-7-azaspiro[3.4]octan-7-yl)methanone
SMILESCOc1ccccc1Cn1cnc2cc(C(=O)N3CCC4(COC4)C3)ccc21
InChIInChI=1S/C22H23N3O3/c1-27-20-5-3-2-4-17(20)11-25-15-23-18-10-16(6-7-19(18)25)21(26)24-9-8-22(12-24)13-28-14-22/h2-7,10,15H,8-9,11-14H2,1H3
InChIKeyMKEBVFXVKYXLPQ-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.96
Rot. Bonds4

About [1-[(2-methoxyphenyl)methyl]benzimidazol-5-yl]-(2-oxa-7-azaspiro[3.4]octan-7-yl)methanone

[1-[(2-methoxyphenyl)methyl]benzimidazol-5-yl]-(2-oxa-7-azaspiro[3.4]octan-7-yl)methanone (PubChem CID 136554130) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is [1-[(2-methoxyphenyl)methyl]benzimidazol-5-yl]-(2-oxa-7-azaspiro[3.4]octan-7-yl)methanone.

Molecular Properties

Compound Name[1-[(2-methoxyphenyl)methyl]benzimidazol-5-yl]-(2-oxa-7-azaspiro[3.4]octan-7-yl)methanone
PubChem CID136554130
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name[1-[(2-methoxyphenyl)methyl]benzimidazol-5-yl]-(2-oxa-7-azaspiro[3.4]octan-7-yl)methanone
SMILESCOc1ccccc1Cn1cnc2cc(C(=O)N3CCC4(COC4)C3)ccc21
InChIInChI=1S/C22H23N3O3/c1-27-20-5-3-2-4-17(20)11-25-15-23-18-10-16(6-7-19(18)25)21(26)24-9-8-22(12-24)13-28-14-22/h2-7,10,15H,8-9,11-14H2,1H3
InChIKeyMKEBVFXVKYXLPQ-UHFFFAOYSA-N
XLogP2.96
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-methoxyphenyl)methyl]benzimidazol-5-yl]-(2-oxa-7-azaspiro[3.4]octan-7-yl)methanone?
The IUPAC name of [1-[(2-methoxyphenyl)methyl]benzimidazol-5-yl]-(2-oxa-7-azaspiro[3.4]octan-7-yl)methanone (CID 136554130) is [1-[(2-methoxyphenyl)methyl]benzimidazol-5-yl]-(2-oxa-7-azaspiro[3.4]octan-7-yl)methanone.
What is the SMILES notation for [1-[(2-methoxyphenyl)methyl]benzimidazol-5-yl]-(2-oxa-7-azaspiro[3.4]octan-7-yl)methanone?
The canonical SMILES for [1-[(2-methoxyphenyl)methyl]benzimidazol-5-yl]-(2-oxa-7-azaspiro[3.4]octan-7-yl)methanone is COc1ccccc1Cn1cnc2cc(C(=O)N3CCC4(COC4)C3)ccc21.
What is the InChIKey of [1-[(2-methoxyphenyl)methyl]benzimidazol-5-yl]-(2-oxa-7-azaspiro[3.4]octan-7-yl)methanone?
The InChIKey is MKEBVFXVKYXLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-20-5-3-2-4-17(20)11-25-15-23-18-10-16(6-7-19(18)25)21(26)24-9-8-22(12-24)13-28-14-22/h2-7,10,15H,8-9,11-14H2,1H3.
What are the key properties of [1-[(2-methoxyphenyl)methyl]benzimidazol-5-yl]-(2-oxa-7-azaspiro[3.4]octan-7-yl)methanone?
[1-[(2-methoxyphenyl)methyl]benzimidazol-5-yl]-(2-oxa-7-azaspiro[3.4]octan-7-yl)methanone has a molecular weight of 377.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methoxyphenyl)methyl]benzimidazol-5-yl]-(2-oxa-7-azaspiro[3.4]octan-7-yl)methanone is sourced from PubChem (CID 136554130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).