9-[(1-ethylimidazol-2-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one

C21H34N4O2 — CID 70756722

IUPAC9-[(1-ethylimidazol-2-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCn1ccnc1CN1CCC2(CCC(=O)N(C3CCC(O)CC3)C2)CC1
InChIInChI=1S/C21H34N4O2/c1-2-24-14-11-22-19(24)15-23-12-9-21(10-13-23)8-7-20(27)25(16-21)17-3-5-18(26)6-4-17/h11,14,17-18,26H,2-10,12-13,15-16H2,1H3
InChIKeyLDSXIWWDHLWIBE-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.41
Rot. Bonds4

About 9-[(1-ethylimidazol-2-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[(1-ethylimidazol-2-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70756722) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 9-[(1-ethylimidazol-2-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(1-ethylimidazol-2-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70756722
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name9-[(1-ethylimidazol-2-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCn1ccnc1CN1CCC2(CCC(=O)N(C3CCC(O)CC3)C2)CC1
InChIInChI=1S/C21H34N4O2/c1-2-24-14-11-22-19(24)15-23-12-9-21(10-13-23)8-7-20(27)25(16-21)17-3-5-18(26)6-4-17/h11,14,17-18,26H,2-10,12-13,15-16H2,1H3
InChIKeyLDSXIWWDHLWIBE-UHFFFAOYSA-N
XLogP2.41
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(1-ethylimidazol-2-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(1-ethylimidazol-2-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70756722) is 9-[(1-ethylimidazol-2-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(1-ethylimidazol-2-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(1-ethylimidazol-2-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one is CCn1ccnc1CN1CCC2(CCC(=O)N(C3CCC(O)CC3)C2)CC1.
What is the InChIKey of 9-[(1-ethylimidazol-2-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is LDSXIWWDHLWIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-2-24-14-11-22-19(24)15-23-12-9-21(10-13-23)8-7-20(27)25(16-21)17-3-5-18(26)6-4-17/h11,14,17-18,26H,2-10,12-13,15-16H2,1H3.
What are the key properties of 9-[(1-ethylimidazol-2-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[(1-ethylimidazol-2-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 374.53 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-ethylimidazol-2-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70756722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).