6-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-7-methyl-4H-imidazo[1,2-a]indole

C24H28N3+ — CID 158144011

IUPAC6-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-7-methyl-4H-imidazo[1,2-a]indole
SMILES[2H]C([2H])(c1cc[n+](C)c(-c2cc3c(cc2C)-n2ccnc2C3)c1)C1CCCCC1
InChIInChI=1S/C24H28N3/c1-17-12-22-20(16-24-25-9-11-27(22)24)15-21(17)23-14-19(8-10-26(23)2)13-18-6-4-3-5-7-18/h8-12,14-15,18H,3-7,13,16H2,1-2H3/q+1/i13D2
InChIKeyMWFMPFSXJOUXQF-KLTYLHELSA-N
MW360.52 g/mol
LogP4.70
Rot. Bonds3

About 6-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-7-methyl-4H-imidazo[1,2-a]indole

6-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-7-methyl-4H-imidazo[1,2-a]indole (PubChem CID 158144011) has the molecular formula C24H28N3+ and a molecular weight of 360.52 g/mol. Its IUPAC name is 6-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-7-methyl-4H-imidazo[1,2-a]indole.

Molecular Properties

Compound Name6-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-7-methyl-4H-imidazo[1,2-a]indole
PubChem CID158144011
Molecular FormulaC24H28N3+
Molecular Weight360.52 g/mol
Exact Mass360.24
IUPAC Name6-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-7-methyl-4H-imidazo[1,2-a]indole
SMILES[2H]C([2H])(c1cc[n+](C)c(-c2cc3c(cc2C)-n2ccnc2C3)c1)C1CCCCC1
InChIInChI=1S/C24H28N3/c1-17-12-22-20(16-24-25-9-11-27(22)24)15-21(17)23-14-19(8-10-26(23)2)13-18-6-4-3-5-7-18/h8-12,14-15,18H,3-7,13,16H2,1-2H3/q+1/i13D2
InChIKeyMWFMPFSXJOUXQF-KLTYLHELSA-N
XLogP4.70
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 54.70
H-Bond Donors ≤ 50
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 6-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-7-methyl-4H-imidazo[1,2-a]indole?
The IUPAC name of 6-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-7-methyl-4H-imidazo[1,2-a]indole (CID 158144011) is 6-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-7-methyl-4H-imidazo[1,2-a]indole.
What is the SMILES notation for 6-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-7-methyl-4H-imidazo[1,2-a]indole?
The canonical SMILES for 6-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-7-methyl-4H-imidazo[1,2-a]indole is [2H]C([2H])(c1cc[n+](C)c(-c2cc3c(cc2C)-n2ccnc2C3)c1)C1CCCCC1.
What is the InChIKey of 6-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-7-methyl-4H-imidazo[1,2-a]indole?
The InChIKey is MWFMPFSXJOUXQF-KLTYLHELSA-N. The full InChI is InChI=1S/C24H28N3/c1-17-12-22-20(16-24-25-9-11-27(22)24)15-21(17)23-14-19(8-10-26(23)2)13-18-6-4-3-5-7-18/h8-12,14-15,18H,3-7,13,16H2,1-2H3/q+1/i13D2.
What are the key properties of 6-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-7-methyl-4H-imidazo[1,2-a]indole?
6-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-7-methyl-4H-imidazo[1,2-a]indole has a molecular weight of 360.52 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[cyclohexyl(dideuterio)methyl]-1-methylpyridin-1-ium-2-yl]-7-methyl-4H-imidazo[1,2-a]indole is sourced from PubChem (CID 158144011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).