methyl 2-(6-azaspiro[2.5]octan-2-yl)-3-(2-methoxyethyl)benzimidazole-5-carboxylate

C19H25N3O3 — CID 146609015

IUPACmethyl 2-(6-azaspiro[2.5]octan-2-yl)-3-(2-methoxyethyl)benzimidazole-5-carboxylate
SMILESCOCCn1c(C2CC23CCNCC3)nc2ccc(C(=O)OC)cc21
InChIInChI=1S/C19H25N3O3/c1-24-10-9-22-16-11-13(18(23)25-2)3-4-15(16)21-17(22)14-12-19(14)5-7-20-8-6-19/h3-4,11,14,20H,5-10,12H2,1-2H3
InChIKeyDGGMVQRMUKUFNL-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.33
Rot. Bonds5

About methyl 2-(6-azaspiro[2.5]octan-2-yl)-3-(2-methoxyethyl)benzimidazole-5-carboxylate

methyl 2-(6-azaspiro[2.5]octan-2-yl)-3-(2-methoxyethyl)benzimidazole-5-carboxylate (PubChem CID 146609015) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is methyl 2-(6-azaspiro[2.5]octan-2-yl)-3-(2-methoxyethyl)benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(6-azaspiro[2.5]octan-2-yl)-3-(2-methoxyethyl)benzimidazole-5-carboxylate
PubChem CID146609015
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Namemethyl 2-(6-azaspiro[2.5]octan-2-yl)-3-(2-methoxyethyl)benzimidazole-5-carboxylate
SMILESCOCCn1c(C2CC23CCNCC3)nc2ccc(C(=O)OC)cc21
InChIInChI=1S/C19H25N3O3/c1-24-10-9-22-16-11-13(18(23)25-2)3-4-15(16)21-17(22)14-12-19(14)5-7-20-8-6-19/h3-4,11,14,20H,5-10,12H2,1-2H3
InChIKeyDGGMVQRMUKUFNL-UHFFFAOYSA-N
XLogP2.33
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-azaspiro[2.5]octan-2-yl)-3-(2-methoxyethyl)benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-(6-azaspiro[2.5]octan-2-yl)-3-(2-methoxyethyl)benzimidazole-5-carboxylate (CID 146609015) is methyl 2-(6-azaspiro[2.5]octan-2-yl)-3-(2-methoxyethyl)benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(6-azaspiro[2.5]octan-2-yl)-3-(2-methoxyethyl)benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-(6-azaspiro[2.5]octan-2-yl)-3-(2-methoxyethyl)benzimidazole-5-carboxylate is COCCn1c(C2CC23CCNCC3)nc2ccc(C(=O)OC)cc21.
What is the InChIKey of methyl 2-(6-azaspiro[2.5]octan-2-yl)-3-(2-methoxyethyl)benzimidazole-5-carboxylate?
The InChIKey is DGGMVQRMUKUFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-24-10-9-22-16-11-13(18(23)25-2)3-4-15(16)21-17(22)14-12-19(14)5-7-20-8-6-19/h3-4,11,14,20H,5-10,12H2,1-2H3.
What are the key properties of methyl 2-(6-azaspiro[2.5]octan-2-yl)-3-(2-methoxyethyl)benzimidazole-5-carboxylate?
methyl 2-(6-azaspiro[2.5]octan-2-yl)-3-(2-methoxyethyl)benzimidazole-5-carboxylate has a molecular weight of 343.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-azaspiro[2.5]octan-2-yl)-3-(2-methoxyethyl)benzimidazole-5-carboxylate is sourced from PubChem (CID 146609015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).