1-(5-bromo-2-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole

C14H15BrFN3 — CID 114718002

IUPAC1-(5-bromo-2-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCC1(c2cncn2-c2cc(Br)ccc2F)CCNC1
InChIInChI=1S/C14H15BrFN3/c1-14(4-5-17-8-14)13-7-18-9-19(13)12-6-10(15)2-3-11(12)16/h2-3,6-7,9,17H,4-5,8H2,1H3
InChIKeyLXNZWOZVJVVWHN-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.02
Rot. Bonds2

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

1-(5-bromo-2-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole (PubChem CID 114718002) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
PubChem CID114718002
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name1-(5-bromo-2-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCC1(c2cncn2-c2cc(Br)ccc2F)CCNC1
InChIInChI=1S/C14H15BrFN3/c1-14(4-5-17-8-14)13-7-18-9-19(13)12-6-10(15)2-3-11(12)16/h2-3,6-7,9,17H,4-5,8H2,1H3
InChIKeyLXNZWOZVJVVWHN-UHFFFAOYSA-N
XLogP3.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(5-bromo-2-fluorophenyl)imidazol-4-yl]-4-methylpiperidine
CID 114718003
1-(4-bromo-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114716752
1-(2-bromo-4-chlorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114721409
1-(5-bromo-4-fluoro-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 107590631
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
3-methyl-4-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]phenol
CID 114720897
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-chloro-2-iodophenyl)imidazol-4-yl]-4-methylpiperidine
CID 107641191
1-[(2,5-difluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114720615
4-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-4-methylpiperidine
CID 114721544

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole (CID 114718002) is 1-(5-bromo-2-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole is CC1(c2cncn2-c2cc(Br)ccc2F)CCNC1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The InChIKey is LXNZWOZVJVVWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-14(4-5-17-8-14)13-7-18-9-19(13)12-6-10(15)2-3-11(12)16/h2-3,6-7,9,17H,4-5,8H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
1-(5-bromo-2-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole has a molecular weight of 324.20 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-(5-bromo-2-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole is sourced from PubChem (CID 114718002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).