2-[(1-methylimidazol-2-yl)methyl]-9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecane

C19H32N4O — CID 118746912

IUPAC2-[(1-methylimidazol-2-yl)methyl]-9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecane
SMILESCn1ccnc1CN1CCCC2(CCN(CC3CCCO3)CC2)C1
InChIInChI=1S/C19H32N4O/c1-21-12-8-20-18(21)15-23-9-3-5-19(16-23)6-10-22(11-7-19)14-17-4-2-13-24-17/h8,12,17H,2-7,9-11,13-16H2,1H3
InChIKeyACWDTRKACSEWQK-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.28
Rot. Bonds4

About 2-[(1-methylimidazol-2-yl)methyl]-9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecane

2-[(1-methylimidazol-2-yl)methyl]-9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecane (PubChem CID 118746912) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-[(1-methylimidazol-2-yl)methyl]-9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-[(1-methylimidazol-2-yl)methyl]-9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecane
PubChem CID118746912
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name2-[(1-methylimidazol-2-yl)methyl]-9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecane
SMILESCn1ccnc1CN1CCCC2(CCN(CC3CCCO3)CC2)C1
InChIInChI=1S/C19H32N4O/c1-21-12-8-20-18(21)15-23-9-3-5-19(16-23)6-10-22(11-7-19)14-17-4-2-13-24-17/h8,12,17H,2-7,9-11,13-16H2,1H3
InChIKeyACWDTRKACSEWQK-UHFFFAOYSA-N
XLogP2.28
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(1-methylimidazol-2-yl)methyl]-9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-2-yl)methyl]-9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 2-[(1-methylimidazol-2-yl)methyl]-9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecane (CID 118746912) is 2-[(1-methylimidazol-2-yl)methyl]-9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-[(1-methylimidazol-2-yl)methyl]-9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 2-[(1-methylimidazol-2-yl)methyl]-9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecane is Cn1ccnc1CN1CCCC2(CCN(CC3CCCO3)CC2)C1.
What is the InChIKey of 2-[(1-methylimidazol-2-yl)methyl]-9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecane?
The InChIKey is ACWDTRKACSEWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-21-12-8-20-18(21)15-23-9-3-5-19(16-23)6-10-22(11-7-19)14-17-4-2-13-24-17/h8,12,17H,2-7,9-11,13-16H2,1H3.
What are the key properties of 2-[(1-methylimidazol-2-yl)methyl]-9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecane?
2-[(1-methylimidazol-2-yl)methyl]-9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecane has a molecular weight of 332.49 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-2-yl)methyl]-9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 118746912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).