5-[4-[(2-chloro-4,5-difluorophenyl)carbamoyl]cyclohexyl]-4-N-(oxolan-2-ylmethyl)-1,2-dihydroimidazole-4,5-dicarboxamide

C23H28ClF2N5O4 — CID 150279288

About 5-[4-[(2-chloro-4,5-difluorophenyl)carbamoyl]cyclohexyl]-4-N-(oxolan-2-ylmethyl)-1,2-dihydroimidazole-4,5-dicarboxamide

5-[4-[(2-chloro-4,5-difluorophenyl)carbamoyl]cyclohexyl]-4-N-(oxolan-2-ylmethyl)-1,2-dihydroimidazole-4,5-dicarboxamide (PubChem CID 150279288) has the molecular formula C23H28ClF2N5O4 and a molecular weight of 511.96 g/mol. Its IUPAC name is 5-[4-[(2-chloro-4,5-difluorophenyl)carbamoyl]cyclohexyl]-4-N-(oxolan-2-ylmethyl)-1,2-dihydroimidazole-4,5-dicarboxamide.

Molecular Properties

• Compound Name: 5-[4-[(2-chloro-4,5-difluorophenyl)carbamoyl]cyclohexyl]-4-N-(oxolan-2-ylmethyl)-1,2-dihydroimidazole-4,5-dicarboxamide
• PubChem CID: 150279288
• Molecular Formula: C23H28ClF2N5O4
• Molecular Weight: 511.96 g/mol
• Exact Mass: 511.18
• IUPAC Name: 5-[4-[(2-chloro-4,5-difluorophenyl)carbamoyl]cyclohexyl]-4-N-(oxolan-2-ylmethyl)-1,2-dihydroimidazole-4,5-dicarboxamide
• SMILES: NC(=O)C1(C2CCC(C(=O)Nc3cc(F)c(F)cc3Cl)CC2)NCN=C1C(=O)NCC1CCCO1
• InChI: InChI=1S/C23H28ClF2N5O4/c24-15-8-16(25)17(26)9-18(15)31-20(32)12-3-5-13(6-4-12)23(22(27)34)19(29-11-30-23)21(33)28-10-14-2-1-7-35-14/h8-9,12-14,30H,1-7,10-11H2,(H2,27,34)(H,28,33)(H,31,32)
• InChIKey: GFFSSYUZPNHQCK-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 134.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.96
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-chloro-4,5-difluorophenyl)carbamoyl]cyclohexyl]-4-N-(oxolan-2-ylmethyl)-1,2-dihydroimidazole-4,5-dicarboxamide?

The IUPAC name of 5-[4-[(2-chloro-4,5-difluorophenyl)carbamoyl]cyclohexyl]-4-N-(oxolan-2-ylmethyl)-1,2-dihydroimidazole-4,5-dicarboxamide (CID 150279288) is 5-[4-[(2-chloro-4,5-difluorophenyl)carbamoyl]cyclohexyl]-4-N-(oxolan-2-ylmethyl)-1,2-dihydroimidazole-4,5-dicarboxamide.

What is the SMILES notation for 5-[4-[(2-chloro-4,5-difluorophenyl)carbamoyl]cyclohexyl]-4-N-(oxolan-2-ylmethyl)-1,2-dihydroimidazole-4,5-dicarboxamide?

The canonical SMILES for 5-[4-[(2-chloro-4,5-difluorophenyl)carbamoyl]cyclohexyl]-4-N-(oxolan-2-ylmethyl)-1,2-dihydroimidazole-4,5-dicarboxamide is NC(=O)C1(C2CCC(C(=O)Nc3cc(F)c(F)cc3Cl)CC2)NCN=C1C(=O)NCC1CCCO1.

What is the InChIKey of 5-[4-[(2-chloro-4,5-difluorophenyl)carbamoyl]cyclohexyl]-4-N-(oxolan-2-ylmethyl)-1,2-dihydroimidazole-4,5-dicarboxamide?

The InChIKey is GFFSSYUZPNHQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClF2N5O4/c24-15-8-16(25)17(26)9-18(15)31-20(32)12-3-5-13(6-4-12)23(22(27)34)19(29-11-30-23)21(33)28-10-14-2-1-7-35-14/h8-9,12-14,30H,1-7,10-11H2,(H2,27,34)(H,28,33)(H,31,32).

What are the key properties of 5-[4-[(2-chloro-4,5-difluorophenyl)carbamoyl]cyclohexyl]-4-N-(oxolan-2-ylmethyl)-1,2-dihydroimidazole-4,5-dicarboxamide?

5-[4-[(2-chloro-4,5-difluorophenyl)carbamoyl]cyclohexyl]-4-N-(oxolan-2-ylmethyl)-1,2-dihydroimidazole-4,5-dicarboxamide has a molecular weight of 511.96 g/mol, XLogP of 1.88, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(2-chloro-4,5-difluorophenyl)carbamoyl]cyclohexyl]-4-N-(oxolan-2-ylmethyl)-1,2-dihydroimidazole-4,5-dicarboxamide is sourced from PubChem (CID 150279288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).