6-bromo-2-(2-chlorophenyl)-N-cyclohexyl-5-methylimidazo[1,2-a]pyridin-3-amine

C20H21BrClN3 — CID 45256141

IUPAC6-bromo-2-(2-chlorophenyl)-N-cyclohexyl-5-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1c(Br)ccc2nc(-c3ccccc3Cl)c(NC3CCCCC3)n12
InChIInChI=1S/C20H21BrClN3/c1-13-16(21)11-12-18-24-19(15-9-5-6-10-17(15)22)20(25(13)18)23-14-7-3-2-4-8-14/h5-6,9-12,14,23H,2-4,7-8H2,1H3
InChIKeyCCDUMZTZNYRGFT-UHFFFAOYSA-N
MW418.77 g/mol
LogP6.47
Rot. Bonds3

About 6-bromo-2-(2-chlorophenyl)-N-cyclohexyl-5-methylimidazo[1,2-a]pyridin-3-amine

6-bromo-2-(2-chlorophenyl)-N-cyclohexyl-5-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 45256141) has the molecular formula C20H21BrClN3 and a molecular weight of 418.77 g/mol. Its IUPAC name is 6-bromo-2-(2-chlorophenyl)-N-cyclohexyl-5-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-2-(2-chlorophenyl)-N-cyclohexyl-5-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID45256141
Molecular FormulaC20H21BrClN3
Molecular Weight418.77 g/mol
Exact Mass417.06
IUPAC Name6-bromo-2-(2-chlorophenyl)-N-cyclohexyl-5-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1c(Br)ccc2nc(-c3ccccc3Cl)c(NC3CCCCC3)n12
InChIInChI=1S/C20H21BrClN3/c1-13-16(21)11-12-18-24-19(15-9-5-6-10-17(15)22)20(25(13)18)23-14-7-3-2-4-8-14/h5-6,9-12,14,23H,2-4,7-8H2,1H3
InChIKeyCCDUMZTZNYRGFT-UHFFFAOYSA-N
XLogP6.47
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.77
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chlorophenyl)-N-cyclohexyl-5-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-bromo-2-(2-chlorophenyl)-N-cyclohexyl-5-methylimidazo[1,2-a]pyridin-3-amine (CID 45256141) is 6-bromo-2-(2-chlorophenyl)-N-cyclohexyl-5-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-bromo-2-(2-chlorophenyl)-N-cyclohexyl-5-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-bromo-2-(2-chlorophenyl)-N-cyclohexyl-5-methylimidazo[1,2-a]pyridin-3-amine is Cc1c(Br)ccc2nc(-c3ccccc3Cl)c(NC3CCCCC3)n12.
What is the InChIKey of 6-bromo-2-(2-chlorophenyl)-N-cyclohexyl-5-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is CCDUMZTZNYRGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrClN3/c1-13-16(21)11-12-18-24-19(15-9-5-6-10-17(15)22)20(25(13)18)23-14-7-3-2-4-8-14/h5-6,9-12,14,23H,2-4,7-8H2,1H3.
What are the key properties of 6-bromo-2-(2-chlorophenyl)-N-cyclohexyl-5-methylimidazo[1,2-a]pyridin-3-amine?
6-bromo-2-(2-chlorophenyl)-N-cyclohexyl-5-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 418.77 g/mol, XLogP of 6.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chlorophenyl)-N-cyclohexyl-5-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 45256141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).