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

C14H16BrN3 — CID 107581323

IUPAC1-(3-bromo-5-methylphenyl)-5-pyrrolidin-2-ylimidazole
SMILESCc1cc(Br)cc(-n2cncc2C2CCCN2)c1
InChIInChI=1S/C14H16BrN3/c1-10-5-11(15)7-12(6-10)18-9-16-8-14(18)13-3-2-4-17-13/h5-9,13,17H,2-4H2,1H3
InChIKeyHLXOGICSDNDXGX-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.37
Rot. Bonds2

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

1-(3-bromo-5-methylphenyl)-5-pyrrolidin-2-ylimidazole (PubChem CID 107581323) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-5-pyrrolidin-2-ylimidazole.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-5-pyrrolidin-2-ylimidazole
PubChem CID107581323
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name1-(3-bromo-5-methylphenyl)-5-pyrrolidin-2-ylimidazole
SMILESCc1cc(Br)cc(-n2cncc2C2CCCN2)c1
InChIInChI=1S/C14H16BrN3/c1-10-5-11(15)7-12(6-10)18-9-16-8-14(18)13-3-2-4-17-13/h5-9,13,17H,2-4H2,1H3
InChIKeyHLXOGICSDNDXGX-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942009
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine
CID 104942033
1-(4-bromo-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943237
1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114703942
3-(5-pyrrolidin-2-ylimidazol-1-yl)pyridine
CID 114703701
1-(4-methylsulfanylphenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941741
2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]piperidine
CID 114707633
2-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]piperidine
CID 114706296
1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114703790
1-(3-methylsulfanylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114702733
1-(4-propylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114702494
[4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]methanol
CID 104943673

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-5-pyrrolidin-2-ylimidazole?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-5-pyrrolidin-2-ylimidazole (CID 107581323) is 1-(3-bromo-5-methylphenyl)-5-pyrrolidin-2-ylimidazole.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-5-pyrrolidin-2-ylimidazole?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-5-pyrrolidin-2-ylimidazole is Cc1cc(Br)cc(-n2cncc2C2CCCN2)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-5-pyrrolidin-2-ylimidazole?
The InChIKey is HLXOGICSDNDXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-10-5-11(15)7-12(6-10)18-9-16-8-14(18)13-3-2-4-17-13/h5-9,13,17H,2-4H2,1H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-5-pyrrolidin-2-ylimidazole?
1-(3-bromo-5-methylphenyl)-5-pyrrolidin-2-ylimidazole has a molecular weight of 306.21 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-5-pyrrolidin-2-ylimidazole is sourced from PubChem (CID 107581323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).