2-[(2R)-3,3-diethylazetidin-2-yl]-1-(2-methoxyethyl)imidazole

C13H23N3O — CID 125451880

IUPAC2-[(2R)-3,3-diethylazetidin-2-yl]-1-(2-methoxyethyl)imidazole
SMILESCCC1(CC)CN[C@H]1c1nccn1CCOC
InChIInChI=1S/C13H23N3O/c1-4-13(5-2)10-15-11(13)12-14-6-7-16(12)8-9-17-3/h6-7,11,15H,4-5,8-10H2,1-3H3/t11-/m0/s1
InChIKeyFIGDWZUQQNXJRA-NSHDSACASA-N
MW237.35 g/mol
LogP1.98
Rot. Bonds6

About 2-[(2R)-3,3-diethylazetidin-2-yl]-1-(2-methoxyethyl)imidazole

2-[(2R)-3,3-diethylazetidin-2-yl]-1-(2-methoxyethyl)imidazole (PubChem CID 125451880) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[(2R)-3,3-diethylazetidin-2-yl]-1-(2-methoxyethyl)imidazole.

Molecular Properties

Compound Name2-[(2R)-3,3-diethylazetidin-2-yl]-1-(2-methoxyethyl)imidazole
PubChem CID125451880
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[(2R)-3,3-diethylazetidin-2-yl]-1-(2-methoxyethyl)imidazole
SMILESCCC1(CC)CN[C@H]1c1nccn1CCOC
InChIInChI=1S/C13H23N3O/c1-4-13(5-2)10-15-11(13)12-14-6-7-16(12)8-9-17-3/h6-7,11,15H,4-5,8-10H2,1-3H3/t11-/m0/s1
InChIKeyFIGDWZUQQNXJRA-NSHDSACASA-N
XLogP1.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-6-[1-(2-methoxyethyl)imidazol-2-yl]-5-azaspiro[2.3]hexane
CID 125454365
1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole
CID 168941227
ethane;2-ethyl-1-(2-methoxyethyl)imidazole
CID 164585283
4-[1-(2-methoxyethyl)imidazol-2-yl]-8-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
CID 50965454
(4R)-4-[1-(2-methoxyethyl)imidazol-2-yl]-8-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
CID 95128655
4-[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine
CID 146104908
N-(3-ethylcyclohexyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106574931
1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 72919738
[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 72851515
[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-(1,2-thiazol-5-yl)methanone
CID 138012375
1-(2-methoxyethyl)-4-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 72846613
N-(cyclobutylmethyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106561470

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3,3-diethylazetidin-2-yl]-1-(2-methoxyethyl)imidazole?
The IUPAC name of 2-[(2R)-3,3-diethylazetidin-2-yl]-1-(2-methoxyethyl)imidazole (CID 125451880) is 2-[(2R)-3,3-diethylazetidin-2-yl]-1-(2-methoxyethyl)imidazole.
What is the SMILES notation for 2-[(2R)-3,3-diethylazetidin-2-yl]-1-(2-methoxyethyl)imidazole?
The canonical SMILES for 2-[(2R)-3,3-diethylazetidin-2-yl]-1-(2-methoxyethyl)imidazole is CCC1(CC)CN[C@H]1c1nccn1CCOC.
What is the InChIKey of 2-[(2R)-3,3-diethylazetidin-2-yl]-1-(2-methoxyethyl)imidazole?
The InChIKey is FIGDWZUQQNXJRA-NSHDSACASA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-13(5-2)10-15-11(13)12-14-6-7-16(12)8-9-17-3/h6-7,11,15H,4-5,8-10H2,1-3H3/t11-/m0/s1.
What are the key properties of 2-[(2R)-3,3-diethylazetidin-2-yl]-1-(2-methoxyethyl)imidazole?
2-[(2R)-3,3-diethylazetidin-2-yl]-1-(2-methoxyethyl)imidazole has a molecular weight of 237.35 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3,3-diethylazetidin-2-yl]-1-(2-methoxyethyl)imidazole is sourced from PubChem (CID 125451880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).