1-(4-bromo-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole

C15H18BrN3 — CID 114716752

IUPAC1-(4-bromo-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCc1cc(Br)ccc1-n1cncc1C1(C)CCNC1
InChIInChI=1S/C15H18BrN3/c1-11-7-12(16)3-4-13(11)19-10-18-8-14(19)15(2)5-6-17-9-15/h3-4,7-8,10,17H,5-6,9H2,1-2H3
InChIKeyHKZDIKZSRBPDNU-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.19
Rot. Bonds2

About 1-(4-bromo-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole

1-(4-bromo-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole (PubChem CID 114716752) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
PubChem CID114716752
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name1-(4-bromo-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCc1cc(Br)ccc1-n1cncc1C1(C)CCNC1
InChIInChI=1S/C15H18BrN3/c1-11-7-12(16)3-4-13(11)19-10-18-8-14(19)15(2)5-6-17-9-15/h3-4,7-8,10,17H,5-6,9H2,1-2H3
InChIKeyHKZDIKZSRBPDNU-UHFFFAOYSA-N
XLogP3.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114718002
3-methyl-4-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]phenol
CID 114720897
1-(5-bromo-4-fluoro-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 107590631
1-(2-bromo-4-chlorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114721409
4-[3-(5-bromo-2-fluorophenyl)imidazol-4-yl]-4-methylpiperidine
CID 114718003
4-[3-(5-bromo-2-methoxyphenyl)imidazol-4-yl]-4-methylpiperidine
CID 114719638
4-bromo-2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]benzonitrile
CID 107802218
4-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-4-methylpiperidine
CID 114721544
1-(3,5-dimethoxyphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114716504
4-[3-(5-chloro-2-methylphenyl)imidazol-4-yl]-4-methylpiperidine
CID 114717692
4-[3-(4-bromo-2-methylphenyl)imidazol-4-yl]piperidine
CID 114703160
4-[3-(3-bromo-5-methylphenyl)imidazol-4-yl]-4-methylpiperidine
CID 107581332

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole (CID 114716752) is 1-(4-bromo-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole is Cc1cc(Br)ccc1-n1cncc1C1(C)CCNC1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The InChIKey is HKZDIKZSRBPDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-11-7-12(16)3-4-13(11)19-10-18-8-14(19)15(2)5-6-17-9-15/h3-4,7-8,10,17H,5-6,9H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
1-(4-bromo-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole has a molecular weight of 320.23 g/mol, XLogP of 3.19, 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-(3-methylpyrrolidin-3-yl)imidazole is sourced from PubChem (CID 114716752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).