N-benzyl-6,8-dibromo-2-cyclohexylimidazo[1,2-a]pyridin-3-amine

C20H21Br2N3 — CID 42738388

IUPACN-benzyl-6,8-dibromo-2-cyclohexylimidazo[1,2-a]pyridin-3-amine
SMILESBrc1cc(Br)c2nc(C3CCCCC3)c(NCc3ccccc3)n2c1
InChIInChI=1S/C20H21Br2N3/c21-16-11-17(22)19-24-18(15-9-5-2-6-10-15)20(25(19)13-16)23-12-14-7-3-1-4-8-14/h1,3-4,7-8,11,13,15,23H,2,5-6,9-10,12H2
InChIKeyPJMAAISGXPDVSP-UHFFFAOYSA-N
MW463.22 g/mol
LogP6.52
Rot. Bonds4

About N-benzyl-6,8-dibromo-2-cyclohexylimidazo[1,2-a]pyridin-3-amine

N-benzyl-6,8-dibromo-2-cyclohexylimidazo[1,2-a]pyridin-3-amine (PubChem CID 42738388) has the molecular formula C20H21Br2N3 and a molecular weight of 463.22 g/mol. Its IUPAC name is N-benzyl-6,8-dibromo-2-cyclohexylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-benzyl-6,8-dibromo-2-cyclohexylimidazo[1,2-a]pyridin-3-amine
PubChem CID42738388
Molecular FormulaC20H21Br2N3
Molecular Weight463.22 g/mol
Exact Mass461.01
IUPAC NameN-benzyl-6,8-dibromo-2-cyclohexylimidazo[1,2-a]pyridin-3-amine
SMILESBrc1cc(Br)c2nc(C3CCCCC3)c(NCc3ccccc3)n2c1
InChIInChI=1S/C20H21Br2N3/c21-16-11-17(22)19-24-18(15-9-5-2-6-10-15)20(25(19)13-16)23-12-14-7-3-1-4-8-14/h1,3-4,7-8,11,13,15,23H,2,5-6,9-10,12H2
InChIKeyPJMAAISGXPDVSP-UHFFFAOYSA-N
XLogP6.52
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.22
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6,8-dibromo-2-cyclohexylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-benzyl-6,8-dibromo-2-cyclohexylimidazo[1,2-a]pyridin-3-amine (CID 42738388) is N-benzyl-6,8-dibromo-2-cyclohexylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-benzyl-6,8-dibromo-2-cyclohexylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-benzyl-6,8-dibromo-2-cyclohexylimidazo[1,2-a]pyridin-3-amine is Brc1cc(Br)c2nc(C3CCCCC3)c(NCc3ccccc3)n2c1.
What is the InChIKey of N-benzyl-6,8-dibromo-2-cyclohexylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is PJMAAISGXPDVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Br2N3/c21-16-11-17(22)19-24-18(15-9-5-2-6-10-15)20(25(19)13-16)23-12-14-7-3-1-4-8-14/h1,3-4,7-8,11,13,15,23H,2,5-6,9-10,12H2.
What are the key properties of N-benzyl-6,8-dibromo-2-cyclohexylimidazo[1,2-a]pyridin-3-amine?
N-benzyl-6,8-dibromo-2-cyclohexylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 463.22 g/mol, XLogP of 6.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6,8-dibromo-2-cyclohexylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 42738388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).