5-(5-bromothiophen-2-yl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole

C12H14BrN3OS — CID 61213947

IUPAC5-(5-bromothiophen-2-yl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole
SMILESCOC1CNC(c2ncc(-c3ccc(Br)s3)[nH]2)C1
InChIInChI=1S/C12H14BrN3OS/c1-17-7-4-8(14-5-7)12-15-6-9(16-12)10-2-3-11(13)18-10/h2-3,6-8,14H,4-5H2,1H3,(H,15,16)
InChIKeyDNNOSZNDNUMBLF-UHFFFAOYSA-N
MW328.24 g/mol
LogP2.95
Rot. Bonds3

About 5-(5-bromothiophen-2-yl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole

5-(5-bromothiophen-2-yl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole (PubChem CID 61213947) has the molecular formula C12H14BrN3OS and a molecular weight of 328.24 g/mol. Its IUPAC name is 5-(5-bromothiophen-2-yl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(5-bromothiophen-2-yl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole
PubChem CID61213947
Molecular FormulaC12H14BrN3OS
Molecular Weight328.24 g/mol
Exact Mass327.00
IUPAC Name5-(5-bromothiophen-2-yl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole
SMILESCOC1CNC(c2ncc(-c3ccc(Br)s3)[nH]2)C1
InChIInChI=1S/C12H14BrN3OS/c1-17-7-4-8(14-5-7)12-15-6-9(16-12)10-2-3-11(13)18-10/h2-3,6-8,14H,4-5H2,1H3,(H,15,16)
InChIKeyDNNOSZNDNUMBLF-UHFFFAOYSA-N
XLogP2.95
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromothiophen-2-yl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole?
The IUPAC name of 5-(5-bromothiophen-2-yl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole (CID 61213947) is 5-(5-bromothiophen-2-yl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole.
What is the SMILES notation for 5-(5-bromothiophen-2-yl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole?
The canonical SMILES for 5-(5-bromothiophen-2-yl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole is COC1CNC(c2ncc(-c3ccc(Br)s3)[nH]2)C1.
What is the InChIKey of 5-(5-bromothiophen-2-yl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole?
The InChIKey is DNNOSZNDNUMBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3OS/c1-17-7-4-8(14-5-7)12-15-6-9(16-12)10-2-3-11(13)18-10/h2-3,6-8,14H,4-5H2,1H3,(H,15,16).
What are the key properties of 5-(5-bromothiophen-2-yl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole?
5-(5-bromothiophen-2-yl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole has a molecular weight of 328.24 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromothiophen-2-yl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole is sourced from PubChem (CID 61213947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).