4-(4-bromophenyl)-5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole

C15H18BrN3 — CID 129212326

IUPAC4-(4-bromophenyl)-5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole
SMILESCc1[nH]c(C2CCCN2C)nc1-c1ccc(Br)cc1
InChIInChI=1S/C15H18BrN3/c1-10-14(11-5-7-12(16)8-6-11)18-15(17-10)13-4-3-9-19(13)2/h5-8,13H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyIDTPZDDJEKWDLX-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.91
Rot. Bonds2

About 4-(4-bromophenyl)-5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole

4-(4-bromophenyl)-5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole (PubChem CID 129212326) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole
PubChem CID129212326
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name4-(4-bromophenyl)-5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole
SMILESCc1[nH]c(C2CCCN2C)nc1-c1ccc(Br)cc1
InChIInChI=1S/C15H18BrN3/c1-10-14(11-5-7-12(16)8-6-11)18-15(17-10)13-4-3-9-19(13)2/h5-8,13H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyIDTPZDDJEKWDLX-UHFFFAOYSA-N
XLogP3.91
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole?
The IUPAC name of 4-(4-bromophenyl)-5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole (CID 129212326) is 4-(4-bromophenyl)-5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole.
What is the SMILES notation for 4-(4-bromophenyl)-5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole?
The canonical SMILES for 4-(4-bromophenyl)-5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole is Cc1[nH]c(C2CCCN2C)nc1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole?
The InChIKey is IDTPZDDJEKWDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-10-14(11-5-7-12(16)8-6-11)18-15(17-10)13-4-3-9-19(13)2/h5-8,13H,3-4,9H2,1-2H3,(H,17,18).
What are the key properties of 4-(4-bromophenyl)-5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole?
4-(4-bromophenyl)-5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole has a molecular weight of 320.23 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole is sourced from PubChem (CID 129212326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).