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

C14H15BrClN3 — CID 114721409

IUPAC1-(2-bromo-4-chlorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCC1(c2cncn2-c2ccc(Cl)cc2Br)CCNC1
InChIInChI=1S/C14H15BrClN3/c1-14(4-5-17-8-14)13-7-18-9-19(13)12-3-2-10(16)6-11(12)15/h2-3,6-7,9,17H,4-5,8H2,1H3
InChIKeyHKCUFZXAWXNCCM-UHFFFAOYSA-N
MW340.65 g/mol
LogP3.54
Rot. Bonds2

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

1-(2-bromo-4-chlorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole (PubChem CID 114721409) has the molecular formula C14H15BrClN3 and a molecular weight of 340.65 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
PubChem CID114721409
Molecular FormulaC14H15BrClN3
Molecular Weight340.65 g/mol
Exact Mass339.01
IUPAC Name1-(2-bromo-4-chlorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCC1(c2cncn2-c2ccc(Cl)cc2Br)CCNC1
InChIInChI=1S/C14H15BrClN3/c1-14(4-5-17-8-14)13-7-18-9-19(13)12-3-2-10(16)6-11(12)15/h2-3,6-7,9,17H,4-5,8H2,1H3
InChIKeyHKCUFZXAWXNCCM-UHFFFAOYSA-N
XLogP3.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114718002
1-(4-bromo-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114716752
1-(5-bromo-4-fluoro-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 107590631
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
3-methyl-4-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]phenol
CID 114720897
4-[3-(5-bromo-2-fluorophenyl)imidazol-4-yl]-4-methylpiperidine
CID 114718003
4-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]-4-methylpiperidine
CID 107641165
1-(3,5-dimethoxyphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114716504
4-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-4-methylpiperidine
CID 114721544
4-[3-(5-bromo-2-methoxyphenyl)imidazol-4-yl]-4-methylpiperidine
CID 114719638
1-ethyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]pyrazole
CID 114250843

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole (CID 114721409) is 1-(2-bromo-4-chlorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole is CC1(c2cncn2-c2ccc(Cl)cc2Br)CCNC1.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The InChIKey is HKCUFZXAWXNCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3/c1-14(4-5-17-8-14)13-7-18-9-19(13)12-3-2-10(16)6-11(12)15/h2-3,6-7,9,17H,4-5,8H2,1H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
1-(2-bromo-4-chlorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole has a molecular weight of 340.65 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole is sourced from PubChem (CID 114721409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).