3-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine

C16H15BrClN3 — CID 170878846

IUPAC3-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
SMILESNCCCc1c(-c2ccc(Cl)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C16H15BrClN3/c17-12-5-8-15-20-16(11-3-6-13(18)7-4-11)14(2-1-9-19)21(15)10-12/h3-8,10H,1-2,9,19H2
InChIKeyVOIRRWPBKXPUFT-UHFFFAOYSA-N
MW364.67 g/mol
LogP4.31
Rot. Bonds4

About 3-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine

3-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine (PubChem CID 170878846) has the molecular formula C16H15BrClN3 and a molecular weight of 364.67 g/mol. Its IUPAC name is 3-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
PubChem CID170878846
Molecular FormulaC16H15BrClN3
Molecular Weight364.67 g/mol
Exact Mass363.01
IUPAC Name3-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
SMILESNCCCc1c(-c2ccc(Cl)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C16H15BrClN3/c17-12-5-8-15-20-16(11-3-6-13(18)7-4-11)14(2-1-9-19)21(15)10-12/h3-8,10H,1-2,9,19H2
InChIKeyVOIRRWPBKXPUFT-UHFFFAOYSA-N
XLogP4.31
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine?
The IUPAC name of 3-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine (CID 170878846) is 3-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine.
What is the SMILES notation for 3-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine?
The canonical SMILES for 3-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine is NCCCc1c(-c2ccc(Cl)cc2)nc2ccc(Br)cn12.
What is the InChIKey of 3-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine?
The InChIKey is VOIRRWPBKXPUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3/c17-12-5-8-15-20-16(11-3-6-13(18)7-4-11)14(2-1-9-19)21(15)10-12/h3-8,10H,1-2,9,19H2.
What are the key properties of 3-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine?
3-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine has a molecular weight of 364.67 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine is sourced from PubChem (CID 170878846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).