N-[(6-chloro-2-ethyl-5,6-dihydroimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylcyclohex-2-en-1-imine

C27H33ClFN5 — CID 123970891

About N-[(6-chloro-2-ethyl-5,6-dihydroimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylcyclohex-2-en-1-imine

N-[(6-chloro-2-ethyl-5,6-dihydroimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylcyclohex-2-en-1-imine (PubChem CID 123970891) has the molecular formula C27H33ClFN5 and a molecular weight of 482.05 g/mol. Its IUPAC name is N-[(6-chloro-2-ethyl-5,6-dihydroimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylcyclohex-2-en-1-imine.

Molecular Properties

• Compound Name: N-[(6-chloro-2-ethyl-5,6-dihydroimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylcyclohex-2-en-1-imine
• PubChem CID: 123970891
• Molecular Formula: C27H33ClFN5
• Molecular Weight: 482.05 g/mol
• Exact Mass: 481.24
• IUPAC Name: N-[(6-chloro-2-ethyl-5,6-dihydroimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylcyclohex-2-en-1-imine
• SMILES: CCc1nc2n(c1C/N=C1\C=CC(C)(N3CCN(c4ccc(F)cc4)CC3)CC1)CC(Cl)C=C2
• InChI: InChI=1S/C27H33ClFN5/c1-3-24-25(34-19-20(28)4-9-26(34)31-24)18-30-22-10-12-27(2,13-11-22)33-16-14-32(15-17-33)23-7-5-21(29)6-8-23/h4-10,12,20H,3,11,13-19H2,1-2H3/b30-22+
• InChIKey: XMJNYHNUQLQNNL-JBASAIQMSA-N
• XLogP: 5.09
• TPSA: 36.66 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.05
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-2-ethyl-5,6-dihydroimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylcyclohex-2-en-1-imine?

The IUPAC name of N-[(6-chloro-2-ethyl-5,6-dihydroimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylcyclohex-2-en-1-imine (CID 123970891) is N-[(6-chloro-2-ethyl-5,6-dihydroimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylcyclohex-2-en-1-imine.

What is the SMILES notation for N-[(6-chloro-2-ethyl-5,6-dihydroimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylcyclohex-2-en-1-imine?

The canonical SMILES for N-[(6-chloro-2-ethyl-5,6-dihydroimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylcyclohex-2-en-1-imine is CCc1nc2n(c1C/N=C1\C=CC(C)(N3CCN(c4ccc(F)cc4)CC3)CC1)CC(Cl)C=C2.

What is the InChIKey of N-[(6-chloro-2-ethyl-5,6-dihydroimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylcyclohex-2-en-1-imine?

The InChIKey is XMJNYHNUQLQNNL-JBASAIQMSA-N. The full InChI is InChI=1S/C27H33ClFN5/c1-3-24-25(34-19-20(28)4-9-26(34)31-24)18-30-22-10-12-27(2,13-11-22)33-16-14-32(15-17-33)23-7-5-21(29)6-8-23/h4-10,12,20H,3,11,13-19H2,1-2H3/b30-22+.

What are the key properties of N-[(6-chloro-2-ethyl-5,6-dihydroimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylcyclohex-2-en-1-imine?

N-[(6-chloro-2-ethyl-5,6-dihydroimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylcyclohex-2-en-1-imine has a molecular weight of 482.05 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-chloro-2-ethyl-5,6-dihydroimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylcyclohex-2-en-1-imine is sourced from PubChem (CID 123970891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).