N-[1-(2-chloro-4-methylphenyl)ethenyl]-4-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]iminocyclohexan-1-amine

C23H23ClF2N4 — CID 164557975

About N-[1-(2-chloro-4-methylphenyl)ethenyl]-4-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]iminocyclohexan-1-amine

N-[1-(2-chloro-4-methylphenyl)ethenyl]-4-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]iminocyclohexan-1-amine (PubChem CID 164557975) has the molecular formula C23H23ClF2N4 and a molecular weight of 428.91 g/mol. Its IUPAC name is N-[1-(2-chloro-4-methylphenyl)ethenyl]-4-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]iminocyclohexan-1-amine.

Molecular Properties

• Compound Name: N-[1-(2-chloro-4-methylphenyl)ethenyl]-4-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]iminocyclohexan-1-amine
• PubChem CID: 164557975
• Molecular Formula: C23H23ClF2N4
• Molecular Weight: 428.91 g/mol
• Exact Mass: 428.16
• IUPAC Name: N-[1-(2-chloro-4-methylphenyl)ethenyl]-4-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]iminocyclohexan-1-amine
• SMILES: C=C(NC1CCC(=Nc2cccc3nc(C(F)F)cn23)CC1)c1ccc(C)cc1Cl
• InChI: InChI=1S/C23H23ClF2N4/c1-14-6-11-18(19(24)12-14)15(2)27-16-7-9-17(10-8-16)28-21-4-3-5-22-29-20(23(25)26)13-30(21)22/h3-6,11-13,16,23,27H,2,7-10H2,1H3/b28-17-
• InChIKey: SUAMECFZNVEWOB-QRQIAZFYSA-N
• XLogP: 6.51
• TPSA: 41.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.91
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-methylphenyl)ethenyl]-4-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]iminocyclohexan-1-amine?

The IUPAC name of N-[1-(2-chloro-4-methylphenyl)ethenyl]-4-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]iminocyclohexan-1-amine (CID 164557975) is N-[1-(2-chloro-4-methylphenyl)ethenyl]-4-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]iminocyclohexan-1-amine.

What is the SMILES notation for N-[1-(2-chloro-4-methylphenyl)ethenyl]-4-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]iminocyclohexan-1-amine?

The canonical SMILES for N-[1-(2-chloro-4-methylphenyl)ethenyl]-4-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]iminocyclohexan-1-amine is C=C(NC1CCC(=Nc2cccc3nc(C(F)F)cn23)CC1)c1ccc(C)cc1Cl.

What is the InChIKey of N-[1-(2-chloro-4-methylphenyl)ethenyl]-4-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]iminocyclohexan-1-amine?

The InChIKey is SUAMECFZNVEWOB-QRQIAZFYSA-N. The full InChI is InChI=1S/C23H23ClF2N4/c1-14-6-11-18(19(24)12-14)15(2)27-16-7-9-17(10-8-16)28-21-4-3-5-22-29-20(23(25)26)13-30(21)22/h3-6,11-13,16,23,27H,2,7-10H2,1H3/b28-17-.

What are the key properties of N-[1-(2-chloro-4-methylphenyl)ethenyl]-4-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]iminocyclohexan-1-amine?

N-[1-(2-chloro-4-methylphenyl)ethenyl]-4-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]iminocyclohexan-1-amine has a molecular weight of 428.91 g/mol, XLogP of 6.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-chloro-4-methylphenyl)ethenyl]-4-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]iminocyclohexan-1-amine is sourced from PubChem (CID 164557975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).