1-(4-bromo-2-methylphenyl)-5-pyrrolidin-3-ylimidazole

C14H16BrN3 — CID 114716753

IUPAC1-(4-bromo-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
SMILESCc1cc(Br)ccc1-n1cncc1C1CCNC1
InChIInChI=1S/C14H16BrN3/c1-10-6-12(15)2-3-13(10)18-9-17-8-14(18)11-4-5-16-7-11/h2-3,6,8-9,11,16H,4-5,7H2,1H3
InChIKeyVEMPJWSAGMOYIF-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.02
Rot. Bonds2

About 1-(4-bromo-2-methylphenyl)-5-pyrrolidin-3-ylimidazole

1-(4-bromo-2-methylphenyl)-5-pyrrolidin-3-ylimidazole (PubChem CID 114716753) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-5-pyrrolidin-3-ylimidazole.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
PubChem CID114716753
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name1-(4-bromo-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
SMILESCc1cc(Br)ccc1-n1cncc1C1CCNC1
InChIInChI=1S/C14H16BrN3/c1-10-6-12(15)2-3-13(10)18-9-17-8-14(18)11-4-5-16-7-11/h2-3,6,8-9,11,16H,4-5,7H2,1H3
InChIKeyVEMPJWSAGMOYIF-UHFFFAOYSA-N
XLogP3.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine
CID 114703160
1-(4-methoxy-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114719980
1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716903
3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine
CID 114223410
5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole
CID 114720008
1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole
CID 114716891
3-[3-(4-bromophenyl)imidazol-4-yl]piperidine
CID 114703751
3-bromo-4-(5-piperidin-3-ylimidazol-1-yl)benzonitrile
CID 107795823
4-[3-(2,5-dimethylphenyl)imidazol-4-yl]piperidine
CID 114703213
4-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]piperidine
CID 114703013
1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716402
1-(4-bromo-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114716752

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-5-pyrrolidin-3-ylimidazole?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-5-pyrrolidin-3-ylimidazole (CID 114716753) is 1-(4-bromo-2-methylphenyl)-5-pyrrolidin-3-ylimidazole.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-5-pyrrolidin-3-ylimidazole?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-5-pyrrolidin-3-ylimidazole is Cc1cc(Br)ccc1-n1cncc1C1CCNC1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-5-pyrrolidin-3-ylimidazole?
The InChIKey is VEMPJWSAGMOYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-10-6-12(15)2-3-13(10)18-9-17-8-14(18)11-4-5-16-7-11/h2-3,6,8-9,11,16H,4-5,7H2,1H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-5-pyrrolidin-3-ylimidazole?
1-(4-bromo-2-methylphenyl)-5-pyrrolidin-3-ylimidazole has a molecular weight of 306.21 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-5-pyrrolidin-3-ylimidazole is sourced from PubChem (CID 114716753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).