1,4-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]imidazole

C14H23N3O — CID 110104266

IUPAC1,4-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]imidazole
SMILESCc1cn(C)c(C2CCCN2C2CCOCC2)n1
InChIInChI=1S/C14H23N3O/c1-11-10-16(2)14(15-11)13-4-3-7-17(13)12-5-8-18-9-6-12/h10,12-13H,3-9H2,1-2H3
InChIKeyDAKDCPADMDIFSH-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.04
Rot. Bonds2

About 1,4-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]imidazole

1,4-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]imidazole (PubChem CID 110104266) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1,4-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]imidazole.

Molecular Properties

Compound Name1,4-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]imidazole
PubChem CID110104266
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1,4-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]imidazole
SMILESCc1cn(C)c(C2CCCN2C2CCOCC2)n1
InChIInChI=1S/C14H23N3O/c1-11-10-16(2)14(15-11)13-4-3-7-17(13)12-5-8-18-9-6-12/h10,12-13H,3-9H2,1-2H3
InChIKeyDAKDCPADMDIFSH-UHFFFAOYSA-N
XLogP2.04
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]imidazole?
The IUPAC name of 1,4-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]imidazole (CID 110104266) is 1,4-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]imidazole.
What is the SMILES notation for 1,4-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]imidazole?
The canonical SMILES for 1,4-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]imidazole is Cc1cn(C)c(C2CCCN2C2CCOCC2)n1.
What is the InChIKey of 1,4-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]imidazole?
The InChIKey is DAKDCPADMDIFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-10-16(2)14(15-11)13-4-3-7-17(13)12-5-8-18-9-6-12/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 1,4-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]imidazole?
1,4-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]imidazole has a molecular weight of 249.36 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]imidazole is sourced from PubChem (CID 110104266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).