1-ethyl-5-methyl-2-(pyrrolidin-1-ylmethyl)imidazole

C11H19N3 — CID 117188506

IUPAC1-ethyl-5-methyl-2-(pyrrolidin-1-ylmethyl)imidazole
SMILESCCn1c(C)cnc1CN1CCCC1
InChIInChI=1S/C11H19N3/c1-3-14-10(2)8-12-11(14)9-13-6-4-5-7-13/h8H,3-7,9H2,1-2H3
InChIKeyQGKIITFEYMCHLR-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.81
Rot. Bonds3

About 1-ethyl-5-methyl-2-(pyrrolidin-1-ylmethyl)imidazole

1-ethyl-5-methyl-2-(pyrrolidin-1-ylmethyl)imidazole (PubChem CID 117188506) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-ethyl-5-methyl-2-(pyrrolidin-1-ylmethyl)imidazole.

Molecular Properties

Compound Name1-ethyl-5-methyl-2-(pyrrolidin-1-ylmethyl)imidazole
PubChem CID117188506
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-ethyl-5-methyl-2-(pyrrolidin-1-ylmethyl)imidazole
SMILESCCn1c(C)cnc1CN1CCCC1
InChIInChI=1S/C11H19N3/c1-3-14-10(2)8-12-11(14)9-13-6-4-5-7-13/h8H,3-7,9H2,1-2H3
InChIKeyQGKIITFEYMCHLR-UHFFFAOYSA-N
XLogP1.81
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-2-(pyrrolidin-1-ylmethyl)imidazole?
The IUPAC name of 1-ethyl-5-methyl-2-(pyrrolidin-1-ylmethyl)imidazole (CID 117188506) is 1-ethyl-5-methyl-2-(pyrrolidin-1-ylmethyl)imidazole.
What is the SMILES notation for 1-ethyl-5-methyl-2-(pyrrolidin-1-ylmethyl)imidazole?
The canonical SMILES for 1-ethyl-5-methyl-2-(pyrrolidin-1-ylmethyl)imidazole is CCn1c(C)cnc1CN1CCCC1.
What is the InChIKey of 1-ethyl-5-methyl-2-(pyrrolidin-1-ylmethyl)imidazole?
The InChIKey is QGKIITFEYMCHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-14-10(2)8-12-11(14)9-13-6-4-5-7-13/h8H,3-7,9H2,1-2H3.
What are the key properties of 1-ethyl-5-methyl-2-(pyrrolidin-1-ylmethyl)imidazole?
1-ethyl-5-methyl-2-(pyrrolidin-1-ylmethyl)imidazole has a molecular weight of 193.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-2-(pyrrolidin-1-ylmethyl)imidazole is sourced from PubChem (CID 117188506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).