1-(2-chloro-4,6-dimethylphenyl)-N-(cyclopropylmethyl)-6-ethyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide

C22H26ClF3N4O — CID 20780026

About 1-(2-chloro-4,6-dimethylphenyl)-N-(cyclopropylmethyl)-6-ethyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide

1-(2-chloro-4,6-dimethylphenyl)-N-(cyclopropylmethyl)-6-ethyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide (PubChem CID 20780026) has the molecular formula C22H26ClF3N4O and a molecular weight of 454.92 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethylphenyl)-N-(cyclopropylmethyl)-6-ethyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-(2-chloro-4,6-dimethylphenyl)-N-(cyclopropylmethyl)-6-ethyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide
• PubChem CID: 20780026
• Molecular Formula: C22H26ClF3N4O
• Molecular Weight: 454.92 g/mol
• Exact Mass: 454.17
• IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-N-(cyclopropylmethyl)-6-ethyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide
• SMILES: CCc1nc2n(c1C(=O)N(CC1CC1)CC(F)(F)F)CCN2c1c(C)cc(C)cc1Cl
• InChI: InChI=1S/C22H26ClF3N4O/c1-4-17-19(20(31)28(11-15-5-6-15)12-22(24,25)26)30-8-7-29(21(30)27-17)18-14(3)9-13(2)10-16(18)23/h9-10,15H,4-8,11-12H2,1-3H3
• InChIKey: WEIUREJHVLHMCS-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 41.37 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.92
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-N-(cyclopropylmethyl)-6-ethyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide?

The IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-N-(cyclopropylmethyl)-6-ethyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide (CID 20780026) is 1-(2-chloro-4,6-dimethylphenyl)-N-(cyclopropylmethyl)-6-ethyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide.

What is the SMILES notation for 1-(2-chloro-4,6-dimethylphenyl)-N-(cyclopropylmethyl)-6-ethyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide?

The canonical SMILES for 1-(2-chloro-4,6-dimethylphenyl)-N-(cyclopropylmethyl)-6-ethyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide is CCc1nc2n(c1C(=O)N(CC1CC1)CC(F)(F)F)CCN2c1c(C)cc(C)cc1Cl.

What is the InChIKey of 1-(2-chloro-4,6-dimethylphenyl)-N-(cyclopropylmethyl)-6-ethyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide?

The InChIKey is WEIUREJHVLHMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClF3N4O/c1-4-17-19(20(31)28(11-15-5-6-15)12-22(24,25)26)30-8-7-29(21(30)27-17)18-14(3)9-13(2)10-16(18)23/h9-10,15H,4-8,11-12H2,1-3H3.

What are the key properties of 1-(2-chloro-4,6-dimethylphenyl)-N-(cyclopropylmethyl)-6-ethyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide?

1-(2-chloro-4,6-dimethylphenyl)-N-(cyclopropylmethyl)-6-ethyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide has a molecular weight of 454.92 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chloro-4,6-dimethylphenyl)-N-(cyclopropylmethyl)-6-ethyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide is sourced from PubChem (CID 20780026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).