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

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

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Related Compounds

methyl 2-[6-[2-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-4-yl]-6-azaspiro[2.5]octan-2-yl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 152711844
2-(6-azaspiro[2.5]octan-2-yl)-6-(1-methoxyethyl)-1-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 159876576
3-(2-methoxyethyl)-2-(piperazin-1-ylmethyl)benzimidazole-5-carboxylic acid
CID 159485240
methyl 2-[6-(6-bromo-3-fluoro-2-pyridinyl)-6-azaspiro[2.5]octan-2-yl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate
CID 151046030
methyl 2-[(4-bromo-2,3,6-trifluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 171472598
methyl 3-(2-methoxyethyl)-2-[[4-(6-oxo-1H-pyridin-2-yl)piperidin-1-yl]methyl]benzimidazole-5-carboxylate
CID 134611181
methyl 3-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]benzoate
CID 120841816
methyl 3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 164580306
methyl 3-(oxetan-2-ylmethyl)-2-(piperidin-4-ylmethyl)benzimidazole-5-carboxylate
CID 175442566
ethane;methyl 2-[(2-amino-4-bromophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 156731504
3-(oxetan-2-ylmethyl)-2-spiro[2.5]octan-2-ylbenzimidazole-5-carboxylic acid
CID 178098802
methyl 3-(oxetan-2-ylmethyl)-2-(piperazin-1-ylmethyl)benzimidazole-5-carboxylate
CID 175485964

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).