5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole

C15H18BrN3O — CID 123588571

IUPAC5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole
SMILESCOCC1CNC(c2ncc(-c3ccc(Br)cc3)[nH]2)C1
InChIInChI=1S/C15H18BrN3O/c1-20-9-10-6-13(17-7-10)15-18-8-14(19-15)11-2-4-12(16)5-3-11/h2-5,8,10,13,17H,6-7,9H2,1H3,(H,18,19)
InChIKeyLSHAVMFPCCVDRJ-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.14
Rot. Bonds4

About 5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole

5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole (PubChem CID 123588571) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole
PubChem CID123588571
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole
SMILESCOCC1CNC(c2ncc(-c3ccc(Br)cc3)[nH]2)C1
InChIInChI=1S/C15H18BrN3O/c1-20-9-10-6-13(17-7-10)15-18-8-14(19-15)11-2-4-12(16)5-3-11/h2-5,8,10,13,17H,6-7,9H2,1H3,(H,18,19)
InChIKeyLSHAVMFPCCVDRJ-UHFFFAOYSA-N
XLogP3.14
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole?
The IUPAC name of 5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole (CID 123588571) is 5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole.
What is the SMILES notation for 5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole?
The canonical SMILES for 5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole is COCC1CNC(c2ncc(-c3ccc(Br)cc3)[nH]2)C1.
What is the InChIKey of 5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole?
The InChIKey is LSHAVMFPCCVDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-20-9-10-6-13(17-7-10)15-18-8-14(19-15)11-2-4-12(16)5-3-11/h2-5,8,10,13,17H,6-7,9H2,1H3,(H,18,19).
What are the key properties of 5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole?
5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole has a molecular weight of 336.23 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-[4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazole is sourced from PubChem (CID 123588571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).