5-(4-methyloxan-4-yl)-2-pyrrolidin-2-yl-1H-imidazole

C13H21N3O — CID 115041058

IUPAC5-(4-methyloxan-4-yl)-2-pyrrolidin-2-yl-1H-imidazole
SMILESCC1(c2cnc(C3CCCN3)[nH]2)CCOCC1
InChIInChI=1S/C13H21N3O/c1-13(4-7-17-8-5-13)11-9-15-12(16-11)10-3-2-6-14-10/h9-10,14H,2-8H2,1H3,(H,15,16)
InChIKeyZQBCIPAKXQYZFR-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.90
Rot. Bonds2

About 5-(4-methyloxan-4-yl)-2-pyrrolidin-2-yl-1H-imidazole

5-(4-methyloxan-4-yl)-2-pyrrolidin-2-yl-1H-imidazole (PubChem CID 115041058) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(4-methyloxan-4-yl)-2-pyrrolidin-2-yl-1H-imidazole.

Molecular Properties

Compound Name5-(4-methyloxan-4-yl)-2-pyrrolidin-2-yl-1H-imidazole
PubChem CID115041058
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-(4-methyloxan-4-yl)-2-pyrrolidin-2-yl-1H-imidazole
SMILESCC1(c2cnc(C3CCCN3)[nH]2)CCOCC1
InChIInChI=1S/C13H21N3O/c1-13(4-7-17-8-5-13)11-9-15-12(16-11)10-3-2-6-14-10/h9-10,14H,2-8H2,1H3,(H,15,16)
InChIKeyZQBCIPAKXQYZFR-UHFFFAOYSA-N
XLogP1.90
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole
CID 93255768
5-tert-butyl-2-pyrrolidin-2-yl-1H-imidazole
CID 43650696
2-[(2R)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride
CID 167720492
2-(5-tert-butyl-1H-imidazol-2-yl)azepane
CID 64570176
5-ethynyl-2-pyrrolidin-2-yl-1H-imidazole
CID 91164756
2-[3-(3-methyloxolan-3-yl)imidazol-4-yl]piperidine
CID 114707289
5-(2-methylpropyl)-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 84686950
5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 124681351
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-2-yl-1H-imidazole
CID 43650666
5-[1-methoxy-4-phenyl-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]cyclohexa-2,4-dien-1-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 68605498
5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole;2,2,2-trifluoroacetic acid
CID 129096538
5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole
CID 43650691

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyloxan-4-yl)-2-pyrrolidin-2-yl-1H-imidazole?
The IUPAC name of 5-(4-methyloxan-4-yl)-2-pyrrolidin-2-yl-1H-imidazole (CID 115041058) is 5-(4-methyloxan-4-yl)-2-pyrrolidin-2-yl-1H-imidazole.
What is the SMILES notation for 5-(4-methyloxan-4-yl)-2-pyrrolidin-2-yl-1H-imidazole?
The canonical SMILES for 5-(4-methyloxan-4-yl)-2-pyrrolidin-2-yl-1H-imidazole is CC1(c2cnc(C3CCCN3)[nH]2)CCOCC1.
What is the InChIKey of 5-(4-methyloxan-4-yl)-2-pyrrolidin-2-yl-1H-imidazole?
The InChIKey is ZQBCIPAKXQYZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(4-7-17-8-5-13)11-9-15-12(16-11)10-3-2-6-14-10/h9-10,14H,2-8H2,1H3,(H,15,16).
What are the key properties of 5-(4-methyloxan-4-yl)-2-pyrrolidin-2-yl-1H-imidazole?
5-(4-methyloxan-4-yl)-2-pyrrolidin-2-yl-1H-imidazole has a molecular weight of 235.33 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyloxan-4-yl)-2-pyrrolidin-2-yl-1H-imidazole is sourced from PubChem (CID 115041058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).