5-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methyl-1H-imidazole

C15H17Cl2N3O — CID 57152705

IUPAC5-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methyl-1H-imidazole
SMILESCc1ncc(OCc2c(Cl)ccc(N3CCCC3)c2Cl)[nH]1
InChIInChI=1S/C15H17Cl2N3O/c1-10-18-8-14(19-10)21-9-11-12(16)4-5-13(15(11)17)20-6-2-3-7-20/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyBEUXGRYLDGOQFK-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.20
Rot. Bonds4

About 5-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methyl-1H-imidazole

5-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methyl-1H-imidazole (PubChem CID 57152705) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is 5-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methyl-1H-imidazole.

Molecular Properties

Compound Name5-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methyl-1H-imidazole
PubChem CID57152705
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name5-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methyl-1H-imidazole
SMILESCc1ncc(OCc2c(Cl)ccc(N3CCCC3)c2Cl)[nH]1
InChIInChI=1S/C15H17Cl2N3O/c1-10-18-8-14(19-10)21-9-11-12(16)4-5-13(15(11)17)20-6-2-3-7-20/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyBEUXGRYLDGOQFK-UHFFFAOYSA-N
XLogP4.20
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methyl-1H-imidazole?
The IUPAC name of 5-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methyl-1H-imidazole (CID 57152705) is 5-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methyl-1H-imidazole.
What is the SMILES notation for 5-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methyl-1H-imidazole?
The canonical SMILES for 5-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methyl-1H-imidazole is Cc1ncc(OCc2c(Cl)ccc(N3CCCC3)c2Cl)[nH]1.
What is the InChIKey of 5-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methyl-1H-imidazole?
The InChIKey is BEUXGRYLDGOQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c1-10-18-8-14(19-10)21-9-11-12(16)4-5-13(15(11)17)20-6-2-3-7-20/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,19).
What are the key properties of 5-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methyl-1H-imidazole?
5-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methyl-1H-imidazole has a molecular weight of 326.23 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methyl-1H-imidazole is sourced from PubChem (CID 57152705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).