2-(4-bromophenyl)-1-cyclohexyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide

C19H26Br2N2O — CID 21177528

IUPAC2-(4-bromophenyl)-1-cyclohexyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide
SMILESOC1(c2ccc(Br)cc2)C[N+]2=C(CCCC2)N1C1CCCCC1.[Br-]
InChIInChI=1S/C19H26BrN2O.BrH/c20-16-11-9-15(10-12-16)19(23)14-21-13-5-4-8-18(21)22(19)17-6-2-1-3-7-17;/h9-12,17,23H,1-8,13-14H2;1H/q+1;/p-1
InChIKeyQLVZJBFSXLGLJD-UHFFFAOYSA-M
MW458.24 g/mol
LogP0.84
Rot. Bonds2

About 2-(4-bromophenyl)-1-cyclohexyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide

2-(4-bromophenyl)-1-cyclohexyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide (PubChem CID 21177528) has the molecular formula C19H26Br2N2O and a molecular weight of 458.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-cyclohexyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-cyclohexyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide
PubChem CID21177528
Molecular FormulaC19H26Br2N2O
Molecular Weight458.24 g/mol
Exact Mass456.04
IUPAC Name2-(4-bromophenyl)-1-cyclohexyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide
SMILESOC1(c2ccc(Br)cc2)C[N+]2=C(CCCC2)N1C1CCCCC1.[Br-]
InChIInChI=1S/C19H26BrN2O.BrH/c20-16-11-9-15(10-12-16)19(23)14-21-13-5-4-8-18(21)22(19)17-6-2-1-3-7-17;/h9-12,17,23H,1-8,13-14H2;1H/q+1;/p-1
InChIKeyQLVZJBFSXLGLJD-UHFFFAOYSA-M
XLogP0.84
TPSA26.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.24
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-cyclohexyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide?
The IUPAC name of 2-(4-bromophenyl)-1-cyclohexyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide (CID 21177528) is 2-(4-bromophenyl)-1-cyclohexyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide.
What is the SMILES notation for 2-(4-bromophenyl)-1-cyclohexyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide?
The canonical SMILES for 2-(4-bromophenyl)-1-cyclohexyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide is OC1(c2ccc(Br)cc2)C[N+]2=C(CCCC2)N1C1CCCCC1.[Br-].
What is the InChIKey of 2-(4-bromophenyl)-1-cyclohexyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide?
The InChIKey is QLVZJBFSXLGLJD-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H26BrN2O.BrH/c20-16-11-9-15(10-12-16)19(23)14-21-13-5-4-8-18(21)22(19)17-6-2-1-3-7-17;/h9-12,17,23H,1-8,13-14H2;1H/q+1;/p-1.
What are the key properties of 2-(4-bromophenyl)-1-cyclohexyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide?
2-(4-bromophenyl)-1-cyclohexyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide has a molecular weight of 458.24 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-cyclohexyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol bromide is sourced from PubChem (CID 21177528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).