4,5-dimethyl-1-(3-pyrrolidin-1-ylpropyl)imidazole

C12H21N3 — CID 19965038

IUPAC4,5-dimethyl-1-(3-pyrrolidin-1-ylpropyl)imidazole
SMILESCc1ncn(CCCN2CCCC2)c1C
InChIInChI=1S/C12H21N3/c1-11-12(2)15(10-13-11)9-5-8-14-6-3-4-7-14/h10H,3-9H2,1-2H3
InChIKeyPDDVGPHXYTYAFV-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.99
Rot. Bonds4

About 4,5-dimethyl-1-(3-pyrrolidin-1-ylpropyl)imidazole

4,5-dimethyl-1-(3-pyrrolidin-1-ylpropyl)imidazole (PubChem CID 19965038) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4,5-dimethyl-1-(3-pyrrolidin-1-ylpropyl)imidazole.

Molecular Properties

Compound Name4,5-dimethyl-1-(3-pyrrolidin-1-ylpropyl)imidazole
PubChem CID19965038
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4,5-dimethyl-1-(3-pyrrolidin-1-ylpropyl)imidazole
SMILESCc1ncn(CCCN2CCCC2)c1C
InChIInChI=1S/C12H21N3/c1-11-12(2)15(10-13-11)9-5-8-14-6-3-4-7-14/h10H,3-9H2,1-2H3
InChIKeyPDDVGPHXYTYAFV-UHFFFAOYSA-N
XLogP1.99
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1-(3-pyrrolidin-1-ylpropyl)imidazole?
The IUPAC name of 4,5-dimethyl-1-(3-pyrrolidin-1-ylpropyl)imidazole (CID 19965038) is 4,5-dimethyl-1-(3-pyrrolidin-1-ylpropyl)imidazole.
What is the SMILES notation for 4,5-dimethyl-1-(3-pyrrolidin-1-ylpropyl)imidazole?
The canonical SMILES for 4,5-dimethyl-1-(3-pyrrolidin-1-ylpropyl)imidazole is Cc1ncn(CCCN2CCCC2)c1C.
What is the InChIKey of 4,5-dimethyl-1-(3-pyrrolidin-1-ylpropyl)imidazole?
The InChIKey is PDDVGPHXYTYAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-11-12(2)15(10-13-11)9-5-8-14-6-3-4-7-14/h10H,3-9H2,1-2H3.
What are the key properties of 4,5-dimethyl-1-(3-pyrrolidin-1-ylpropyl)imidazole?
4,5-dimethyl-1-(3-pyrrolidin-1-ylpropyl)imidazole has a molecular weight of 207.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1-(3-pyrrolidin-1-ylpropyl)imidazole is sourced from PubChem (CID 19965038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).