2-[(2-butyl-1H-imidazol-5-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane

C19H34N4O — CID 56859126

IUPAC2-[(2-butyl-1H-imidazol-5-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
SMILESCCCCc1ncc(CN2CCC3(CCCN(CCOC)C3)C2)[nH]1
InChIInChI=1S/C19H34N4O/c1-3-4-6-18-20-13-17(21-18)14-23-10-8-19(16-23)7-5-9-22(15-19)11-12-24-2/h13H,3-12,14-16H2,1-2H3,(H,20,21)
InChIKeyYLEXSKIJGDIFLW-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.69
Rot. Bonds8

About 2-[(2-butyl-1H-imidazol-5-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane

2-[(2-butyl-1H-imidazol-5-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane (PubChem CID 56859126) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is 2-[(2-butyl-1H-imidazol-5-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(2-butyl-1H-imidazol-5-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
PubChem CID56859126
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name2-[(2-butyl-1H-imidazol-5-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
SMILESCCCCc1ncc(CN2CCC3(CCCN(CCOC)C3)C2)[nH]1
InChIInChI=1S/C19H34N4O/c1-3-4-6-18-20-13-17(21-18)14-23-10-8-19(16-23)7-5-9-22(15-19)11-12-24-2/h13H,3-12,14-16H2,1-2H3,(H,20,21)
InChIKeyYLEXSKIJGDIFLW-UHFFFAOYSA-N
XLogP2.69
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-butyl-1H-imidazol-5-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane with MolForge

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Related Compounds

1-{[2-(Cyclopentylmethyl)-1H-imidazol-4-YL]methyl}-3-(pyrrolidin-1-ylmethyl)piperidin-3-OL
CID 70741424
1-{[2-(Cyclopentylmethyl)-1H-imidazol-4-YL]methyl}-3-(piperidin-1-ylmethyl)pyrrolidin-3-OL
CID 70773840
7-{[2-(Cyclopentylmethyl)-1H-imidazol-4-YL]methyl}-2-oxa-7-azaspiro[4.5]decane
CID 72892323
(4S*)-1-{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-3,3,4-trimethylpiperidin-4-ol
CID 72931447
1-(2-Methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97493559
1-[(2-Methyl-1H-imidazol-4-YL)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-OL
CID 77097401
2,2-dimethylpropyl (5S)-2-[(2-methyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 95215943
(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine
CID 164637986
4-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-9-(1H-imidazol-5-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 171359864
N-[[2-(3,3-difluorocyclopentyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 114216587
8-[(2-butyl-1H-imidazol-4-yl)methyl]-3-isopropyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26134778
9-[(2-butyl-1H-imidazol-4-yl)methyl]-3,9-diazaspiro[5.6]dodecane
CID 56708129

Frequently Asked Questions

What is the IUPAC name of 2-[(2-butyl-1H-imidazol-5-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-[(2-butyl-1H-imidazol-5-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane (CID 56859126) is 2-[(2-butyl-1H-imidazol-5-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(2-butyl-1H-imidazol-5-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(2-butyl-1H-imidazol-5-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane is CCCCc1ncc(CN2CCC3(CCCN(CCOC)C3)C2)[nH]1.
What is the InChIKey of 2-[(2-butyl-1H-imidazol-5-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
The InChIKey is YLEXSKIJGDIFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-3-4-6-18-20-13-17(21-18)14-23-10-8-19(16-23)7-5-9-22(15-19)11-12-24-2/h13H,3-12,14-16H2,1-2H3,(H,20,21).
What are the key properties of 2-[(2-butyl-1H-imidazol-5-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
2-[(2-butyl-1H-imidazol-5-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane has a molecular weight of 334.51 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butyl-1H-imidazol-5-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 56859126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).