6-chloro-N-cyclohexyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine

C21H24ClN3 — CID 3924325

IUPAC6-chloro-N-cyclohexyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine
SMILESCC(c1ccccc1)c1nc2ccc(Cl)cn2c1NC1CCCCC1
InChIInChI=1S/C21H24ClN3/c1-15(16-8-4-2-5-9-16)20-21(23-18-10-6-3-7-11-18)25-14-17(22)12-13-19(25)24-20/h2,4-5,8-9,12-15,18,23H,3,6-7,10-11H2,1H3
InChIKeyBUJHUOBGMYHPRD-UHFFFAOYSA-N
MW353.90 g/mol
LogP5.88
Rot. Bonds4

About 6-chloro-N-cyclohexyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine

6-chloro-N-cyclohexyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 3924325) has the molecular formula C21H24ClN3 and a molecular weight of 353.90 g/mol. Its IUPAC name is 6-chloro-N-cyclohexyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-cyclohexyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID3924325
Molecular FormulaC21H24ClN3
Molecular Weight353.90 g/mol
Exact Mass353.17
IUPAC Name6-chloro-N-cyclohexyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine
SMILESCC(c1ccccc1)c1nc2ccc(Cl)cn2c1NC1CCCCC1
InChIInChI=1S/C21H24ClN3/c1-15(16-8-4-2-5-9-16)20-21(23-18-10-6-3-7-11-18)25-14-17(22)12-13-19(25)24-20/h2,4-5,8-9,12-15,18,23H,3,6-7,10-11H2,1H3
InChIKeyBUJHUOBGMYHPRD-UHFFFAOYSA-N
XLogP5.88
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.90
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclohexyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-chloro-N-cyclohexyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine (CID 3924325) is 6-chloro-N-cyclohexyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-chloro-N-cyclohexyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-chloro-N-cyclohexyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine is CC(c1ccccc1)c1nc2ccc(Cl)cn2c1NC1CCCCC1.
What is the InChIKey of 6-chloro-N-cyclohexyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is BUJHUOBGMYHPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3/c1-15(16-8-4-2-5-9-16)20-21(23-18-10-6-3-7-11-18)25-14-17(22)12-13-19(25)24-20/h2,4-5,8-9,12-15,18,23H,3,6-7,10-11H2,1H3.
What are the key properties of 6-chloro-N-cyclohexyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine?
6-chloro-N-cyclohexyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 353.90 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclohexyl-2-(1-phenylethyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 3924325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).