5-(5-bromo-2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole

C15H18BrN3O — CID 116877631

IUPAC5-(5-bromo-2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
SMILESCOc1ccc(Br)cc1-c1cnc(CC2CCNC2)[nH]1
InChIInChI=1S/C15H18BrN3O/c1-20-14-3-2-11(16)7-12(14)13-9-18-15(19-13)6-10-4-5-17-8-10/h2-3,7,9-10,17H,4-6,8H2,1H3,(H,18,19)
InChIKeyCEYCVVBEMXIITB-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.00
Rot. Bonds4

About 5-(5-bromo-2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole

5-(5-bromo-2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole (PubChem CID 116877631) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 5-(5-bromo-2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(5-bromo-2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
PubChem CID116877631
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name5-(5-bromo-2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
SMILESCOc1ccc(Br)cc1-c1cnc(CC2CCNC2)[nH]1
InChIInChI=1S/C15H18BrN3O/c1-20-14-3-2-11(16)7-12(14)13-9-18-15(19-13)6-10-4-5-17-8-10/h2-3,7,9-10,17H,4-6,8H2,1H3,(H,18,19)
InChIKeyCEYCVVBEMXIITB-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(5-bromo-2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-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

5-(3-bromo-4-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
CID 116877630
[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 82307343
3-[(5-bromo-2-methoxyphenyl)methoxymethyl]pyrrolidine
CID 62371249
5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61364707
2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butan-1-ol
CID 116882865
[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882722
4-[[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]methyl]piperidine
CID 61029255
(3S)-3-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrrolidine
CID 86320109
4-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidine
CID 61030336
2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]-3-methylbutanenitrile
CID 116883231
[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
CID 116882670
3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine
CID 84799616

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole?
The IUPAC name of 5-(5-bromo-2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole (CID 116877631) is 5-(5-bromo-2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole.
What is the SMILES notation for 5-(5-bromo-2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole?
The canonical SMILES for 5-(5-bromo-2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole is COc1ccc(Br)cc1-c1cnc(CC2CCNC2)[nH]1.
What is the InChIKey of 5-(5-bromo-2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole?
The InChIKey is CEYCVVBEMXIITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-20-14-3-2-11(16)7-12(14)13-9-18-15(19-13)6-10-4-5-17-8-10/h2-3,7,9-10,17H,4-6,8H2,1H3,(H,18,19).
What are the key properties of 5-(5-bromo-2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole?
5-(5-bromo-2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole has a molecular weight of 336.23 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole is sourced from PubChem (CID 116877631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).