2-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine

C16H17ClN4 — CID 82061704

IUPAC2-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
SMILESNCCn1c(CCc2ccccc2)nc2cc(Cl)cnc21
InChIInChI=1S/C16H17ClN4/c17-13-10-14-16(19-11-13)21(9-8-18)15(20-14)7-6-12-4-2-1-3-5-12/h1-5,10-11H,6-9,18H2
InChIKeyPIHBXASMJGJKDG-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.83
Rot. Bonds5

About 2-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine

2-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine (PubChem CID 82061704) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
PubChem CID82061704
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name2-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
SMILESNCCn1c(CCc2ccccc2)nc2cc(Cl)cnc21
InChIInChI=1S/C16H17ClN4/c17-13-10-14-16(19-11-13)21(9-8-18)15(20-14)7-6-12-4-2-1-3-5-12/h1-5,10-11H,6-9,18H2
InChIKeyPIHBXASMJGJKDG-UHFFFAOYSA-N
XLogP2.83
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
The IUPAC name of 2-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine (CID 82061704) is 2-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine.
What is the SMILES notation for 2-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
The canonical SMILES for 2-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine is NCCn1c(CCc2ccccc2)nc2cc(Cl)cnc21.
What is the InChIKey of 2-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
The InChIKey is PIHBXASMJGJKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c17-13-10-14-16(19-11-13)21(9-8-18)15(20-14)7-6-12-4-2-1-3-5-12/h1-5,10-11H,6-9,18H2.
What are the key properties of 2-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
2-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine has a molecular weight of 300.79 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine is sourced from PubChem (CID 82061704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).