4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C20H33N5O — CID 72883515

IUPAC4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(Cc2cnc(CC3CCCC3)[nH]2)CC12CCNC(=O)CC2
InChIInChI=1S/C20H33N5O/c1-24-10-11-25(15-20(24)7-6-19(26)21-9-8-20)14-17-13-22-18(23-17)12-16-4-2-3-5-16/h13,16H,2-12,14-15H2,1H3,(H,21,26)(H,22,23)
InChIKeyXUQBJVMOZKWLID-UHFFFAOYSA-N
MW359.52 g/mol
LogP1.93
Rot. Bonds4

About 4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72883515) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72883515
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(Cc2cnc(CC3CCCC3)[nH]2)CC12CCNC(=O)CC2
InChIInChI=1S/C20H33N5O/c1-24-10-11-25(15-20(24)7-6-19(26)21-9-8-20)14-17-13-22-18(23-17)12-16-4-2-3-5-16/h13,16H,2-12,14-15H2,1H3,(H,21,26)(H,22,23)
InChIKeyXUQBJVMOZKWLID-UHFFFAOYSA-N
XLogP1.93
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1,4-diazepan-5-one
CID 74238956
(6R)-1-methyl-4-[(1-propylimidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98788792
(6S)-4-(2-cyclopentylacetyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97132445
4-[[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]methyl]benzoic acid
CID 98788809
1-methyl-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72839919
(6R)-1-methyl-4-(3-pyridin-3-ylpropyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98788911
1-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70765827
2-methyl-7-[(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 70769771
(6R)-4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98807719
N-cyclopentyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 72870632
(3R)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97123160
(6S)-4-[(5-chloro-2,4-dimethoxyphenyl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97146191

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72883515) is 4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(Cc2cnc(CC3CCCC3)[nH]2)CC12CCNC(=O)CC2.
What is the InChIKey of 4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is XUQBJVMOZKWLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-24-10-11-25(15-20(24)7-6-19(26)21-9-8-20)14-17-13-22-18(23-17)12-16-4-2-3-5-16/h13,16H,2-12,14-15H2,1H3,(H,21,26)(H,22,23).
What are the key properties of 4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 359.52 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72883515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).