3-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C13H13BrN2 — CID 657827

IUPAC3-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESBrc1ccc(-c2cnc3n2CCCC3)cc1
InChIInChI=1S/C13H13BrN2/c14-11-6-4-10(5-7-11)12-9-15-13-3-1-2-8-16(12)13/h4-7,9H,1-3,8H2
InChIKeyHCJNLAMCRCKSSQ-UHFFFAOYSA-N
MW277.17 g/mol
LogP3.65
Rot. Bonds1

About 3-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

3-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 657827) has the molecular formula C13H13BrN2 and a molecular weight of 277.17 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID657827
Molecular FormulaC13H13BrN2
Molecular Weight277.17 g/mol
Exact Mass276.03
IUPAC Name3-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESBrc1ccc(-c2cnc3n2CCCC3)cc1
InChIInChI=1S/C13H13BrN2/c14-11-6-4-10(5-7-11)12-9-15-13-3-1-2-8-16(12)13/h4-7,9H,1-3,8H2
InChIKeyHCJNLAMCRCKSSQ-UHFFFAOYSA-N
XLogP3.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 3-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 657827) is 3-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 3-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is Brc1ccc(-c2cnc3n2CCCC3)cc1.
What is the InChIKey of 3-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is HCJNLAMCRCKSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c14-11-6-4-10(5-7-11)12-9-15-13-3-1-2-8-16(12)13/h4-7,9H,1-3,8H2.
What are the key properties of 3-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
3-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 277.17 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 657827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).