2,4-dichloro-1-methyl-5-[(3-propylpyrrolidin-1-yl)methyl]imidazole

C12H19Cl2N3 — CID 141416417

IUPAC2,4-dichloro-1-methyl-5-[(3-propylpyrrolidin-1-yl)methyl]imidazole
SMILESCCCC1CCN(Cc2c(Cl)nc(Cl)n2C)C1
InChIInChI=1S/C12H19Cl2N3/c1-3-4-9-5-6-17(7-9)8-10-11(13)15-12(14)16(10)2/h9H,3-8H2,1-2H3
InChIKeyXODFXVIAMSAZNY-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.35
Rot. Bonds4

About 2,4-dichloro-1-methyl-5-[(3-propylpyrrolidin-1-yl)methyl]imidazole

2,4-dichloro-1-methyl-5-[(3-propylpyrrolidin-1-yl)methyl]imidazole (PubChem CID 141416417) has the molecular formula C12H19Cl2N3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 2,4-dichloro-1-methyl-5-[(3-propylpyrrolidin-1-yl)methyl]imidazole.

Molecular Properties

Compound Name2,4-dichloro-1-methyl-5-[(3-propylpyrrolidin-1-yl)methyl]imidazole
PubChem CID141416417
Molecular FormulaC12H19Cl2N3
Molecular Weight276.21 g/mol
Exact Mass275.10
IUPAC Name2,4-dichloro-1-methyl-5-[(3-propylpyrrolidin-1-yl)methyl]imidazole
SMILESCCCC1CCN(Cc2c(Cl)nc(Cl)n2C)C1
InChIInChI=1S/C12H19Cl2N3/c1-3-4-9-5-6-17(7-9)8-10-11(13)15-12(14)16(10)2/h9H,3-8H2,1-2H3
InChIKeyXODFXVIAMSAZNY-UHFFFAOYSA-N
XLogP3.35
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-methyl-5-[(3-propylpyrrolidin-1-yl)methyl]imidazole?
The IUPAC name of 2,4-dichloro-1-methyl-5-[(3-propylpyrrolidin-1-yl)methyl]imidazole (CID 141416417) is 2,4-dichloro-1-methyl-5-[(3-propylpyrrolidin-1-yl)methyl]imidazole.
What is the SMILES notation for 2,4-dichloro-1-methyl-5-[(3-propylpyrrolidin-1-yl)methyl]imidazole?
The canonical SMILES for 2,4-dichloro-1-methyl-5-[(3-propylpyrrolidin-1-yl)methyl]imidazole is CCCC1CCN(Cc2c(Cl)nc(Cl)n2C)C1.
What is the InChIKey of 2,4-dichloro-1-methyl-5-[(3-propylpyrrolidin-1-yl)methyl]imidazole?
The InChIKey is XODFXVIAMSAZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl2N3/c1-3-4-9-5-6-17(7-9)8-10-11(13)15-12(14)16(10)2/h9H,3-8H2,1-2H3.
What are the key properties of 2,4-dichloro-1-methyl-5-[(3-propylpyrrolidin-1-yl)methyl]imidazole?
2,4-dichloro-1-methyl-5-[(3-propylpyrrolidin-1-yl)methyl]imidazole has a molecular weight of 276.21 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-methyl-5-[(3-propylpyrrolidin-1-yl)methyl]imidazole is sourced from PubChem (CID 141416417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).