5-bromo-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine

C15H13BrN2 — CID 117132587

IUPAC5-bromo-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine
SMILESCc1cccc(Cc2cn3c(Br)cccc3n2)c1
InChIInChI=1S/C15H13BrN2/c1-11-4-2-5-12(8-11)9-13-10-18-14(16)6-3-7-15(18)17-13/h2-8,10H,9H2,1H3
InChIKeyRJXAGJNXHCQSLB-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.00
Rot. Bonds2

About 5-bromo-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine

5-bromo-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine (PubChem CID 117132587) has the molecular formula C15H13BrN2 and a molecular weight of 301.19 g/mol. Its IUPAC name is 5-bromo-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine
PubChem CID117132587
Molecular FormulaC15H13BrN2
Molecular Weight301.19 g/mol
Exact Mass300.03
IUPAC Name5-bromo-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine
SMILESCc1cccc(Cc2cn3c(Br)cccc3n2)c1
InChIInChI=1S/C15H13BrN2/c1-11-4-2-5-12(8-11)9-13-10-18-14(16)6-3-7-15(18)17-13/h2-8,10H,9H2,1H3
InChIKeyRJXAGJNXHCQSLB-UHFFFAOYSA-N
XLogP4.00
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117132592
[2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-6-yl]methanamine
CID 82223496
2-(5-bromoimidazo[1,2-a]pyridin-2-yl)acetonitrile
CID 135394945
2-benzyl-6-bromo-5-methylimidazo[1,2-a]pyridine
CID 115403650
2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 82223479
[2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-5-yl]methanamine
CID 117132788
1-bromo-4-[(3-methylphenyl)methyl]benzene
CID 67156138
2-[(3-methylphenyl)methyl]quinoline
CID 91665483
2-[(4-chlorophenyl)methyl]-5-methylimidazo[1,2-a]pyridine
CID 117132832
2-[(3-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyridine
CID 117134964
2-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117132642
2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 82223440

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 5-bromo-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine (CID 117132587) is 5-bromo-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-bromo-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 5-bromo-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine is Cc1cccc(Cc2cn3c(Br)cccc3n2)c1.
What is the InChIKey of 5-bromo-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is RJXAGJNXHCQSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2/c1-11-4-2-5-12(8-11)9-13-10-18-14(16)6-3-7-15(18)17-13/h2-8,10H,9H2,1H3.
What are the key properties of 5-bromo-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine?
5-bromo-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 301.19 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 117132587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).