N-[(4-chlorophenyl)methyl]-6-ethyl-N-(3,3,3-trifluoropropyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide

C27H30ClF3N4O — CID 20780256

IUPACN-[(4-chlorophenyl)methyl]-6-ethyl-N-(3,3,3-trifluoropropyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide
SMILESCCc1nc2n(c1C(=O)N(CCC(F)(F)F)Cc1ccc(Cl)cc1)CCN2c1c(C)cc(C)cc1C
InChIInChI=1S/C27H30ClF3N4O/c1-5-22-24(25(36)33(11-10-27(29,30)31)16-20-6-8-21(28)9-7-20)35-13-12-34(26(35)32-22)23-18(3)14-17(2)15-19(23)4/h6-9,14-15H,5,10-13,16H2,1-4H3
InChIKeyDUMBFQIXBWMFNM-UHFFFAOYSA-N
MW519.01 g/mol
LogP6.77
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-6-ethyl-N-(3,3,3-trifluoropropyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide

N-[(4-chlorophenyl)methyl]-6-ethyl-N-(3,3,3-trifluoropropyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide (PubChem CID 20780256) has the molecular formula C27H30ClF3N4O and a molecular weight of 519.01 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-ethyl-N-(3,3,3-trifluoropropyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-ethyl-N-(3,3,3-trifluoropropyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide
PubChem CID20780256
Molecular FormulaC27H30ClF3N4O
Molecular Weight519.01 g/mol
Exact Mass518.21
IUPAC NameN-[(4-chlorophenyl)methyl]-6-ethyl-N-(3,3,3-trifluoropropyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide
SMILESCCc1nc2n(c1C(=O)N(CCC(F)(F)F)Cc1ccc(Cl)cc1)CCN2c1c(C)cc(C)cc1C
InChIInChI=1S/C27H30ClF3N4O/c1-5-22-24(25(36)33(11-10-27(29,30)31)16-20-6-8-21(28)9-7-20)35-13-12-34(26(35)32-22)23-18(3)14-17(2)15-19(23)4/h6-9,14-15H,5,10-13,16H2,1-4H3
InChIKeyDUMBFQIXBWMFNM-UHFFFAOYSA-N
XLogP6.77
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.01
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(4-chlorophenyl)methyl]-6-ethyl-N-(3,3,3-trifluoropropyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-ethyl-N-(3,3,3-trifluoropropyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-ethyl-N-(3,3,3-trifluoropropyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide (CID 20780256) is N-[(4-chlorophenyl)methyl]-6-ethyl-N-(3,3,3-trifluoropropyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-ethyl-N-(3,3,3-trifluoropropyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-ethyl-N-(3,3,3-trifluoropropyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide is CCc1nc2n(c1C(=O)N(CCC(F)(F)F)Cc1ccc(Cl)cc1)CCN2c1c(C)cc(C)cc1C.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-ethyl-N-(3,3,3-trifluoropropyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide?
The InChIKey is DUMBFQIXBWMFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClF3N4O/c1-5-22-24(25(36)33(11-10-27(29,30)31)16-20-6-8-21(28)9-7-20)35-13-12-34(26(35)32-22)23-18(3)14-17(2)15-19(23)4/h6-9,14-15H,5,10-13,16H2,1-4H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-6-ethyl-N-(3,3,3-trifluoropropyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide?
N-[(4-chlorophenyl)methyl]-6-ethyl-N-(3,3,3-trifluoropropyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide has a molecular weight of 519.01 g/mol, XLogP of 6.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-ethyl-N-(3,3,3-trifluoropropyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide is sourced from PubChem (CID 20780256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).