1-(2-chloro-4,6-dimethylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole;N-(cyclopropylmethyl)-2,2,2-trifluoroethanamine

C21H28ClF3N4 — CID 171926239

IUPAC1-(2-chloro-4,6-dimethylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole;N-(cyclopropylmethyl)-2,2,2-trifluoroethanamine
SMILESCCc1cn2c(n1)N(c1c(C)cc(C)cc1Cl)CC2.FC(F)(F)CNCC1CC1
InChIInChI=1S/C15H18ClN3.C6H10F3N/c1-4-12-9-18-5-6-19(15(18)17-12)14-11(3)7-10(2)8-13(14)16;7-6(8,9)4-10-3-5-1-2-5/h7-9H,4-6H2,1-3H3;5,10H,1-4H2
InChIKeyRNSXTXXNBSAOJJ-UHFFFAOYSA-N
MW428.93 g/mol
LogP5.42
Rot. Bonds5

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

1-(2-chloro-4,6-dimethylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole;N-(cyclopropylmethyl)-2,2,2-trifluoroethanamine (PubChem CID 171926239) has the molecular formula C21H28ClF3N4 and a molecular weight of 428.93 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole;N-(cyclopropylmethyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(2-chloro-4,6-dimethylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole;N-(cyclopropylmethyl)-2,2,2-trifluoroethanamine
PubChem CID171926239
Molecular FormulaC21H28ClF3N4
Molecular Weight428.93 g/mol
Exact Mass428.20
IUPAC Name1-(2-chloro-4,6-dimethylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole;N-(cyclopropylmethyl)-2,2,2-trifluoroethanamine
SMILESCCc1cn2c(n1)N(c1c(C)cc(C)cc1Cl)CC2.FC(F)(F)CNCC1CC1
InChIInChI=1S/C15H18ClN3.C6H10F3N/c1-4-12-9-18-5-6-19(15(18)17-12)14-11(3)7-10(2)8-13(14)16;7-6(8,9)4-10-3-5-1-2-5/h7-9H,4-6H2,1-3H3;5,10H,1-4H2
InChIKeyRNSXTXXNBSAOJJ-UHFFFAOYSA-N
XLogP5.42
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.93
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[[8-(2-chloro-4,6-dimethylphenyl)-2-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine
CID 20780264
2,2,2-trifluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 83983209
N-(2-cyclopropylethyl)-N,6-diethyl-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide
CID 20780251
2-(1,2,2,2-tetrafluoroethylidene)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
CID 132850287
2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 83983429
N-benzyl-3,3,3-trifluoropropan-1-amine;6-ethyl-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylic acid
CID 171923660
2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine
CID 83983099
1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one
CID 117014121
6-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide
CID 20780037
2-[[8-(2-chloro-4,6-dimethylphenyl)-2-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-yl]methyl]hexan-1-amine
CID 69425124
1-[4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 133472278

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole;N-(cyclopropylmethyl)-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole;N-(cyclopropylmethyl)-2,2,2-trifluoroethanamine (CID 171926239) is 1-(2-chloro-4,6-dimethylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole;N-(cyclopropylmethyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(2-chloro-4,6-dimethylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole;N-(cyclopropylmethyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(2-chloro-4,6-dimethylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole;N-(cyclopropylmethyl)-2,2,2-trifluoroethanamine is CCc1cn2c(n1)N(c1c(C)cc(C)cc1Cl)CC2.FC(F)(F)CNCC1CC1.
What is the InChIKey of 1-(2-chloro-4,6-dimethylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole;N-(cyclopropylmethyl)-2,2,2-trifluoroethanamine?
The InChIKey is RNSXTXXNBSAOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3.C6H10F3N/c1-4-12-9-18-5-6-19(15(18)17-12)14-11(3)7-10(2)8-13(14)16;7-6(8,9)4-10-3-5-1-2-5/h7-9H,4-6H2,1-3H3;5,10H,1-4H2.
What are the key properties of 1-(2-chloro-4,6-dimethylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole;N-(cyclopropylmethyl)-2,2,2-trifluoroethanamine?
1-(2-chloro-4,6-dimethylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole;N-(cyclopropylmethyl)-2,2,2-trifluoroethanamine has a molecular weight of 428.93 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-dimethylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole;N-(cyclopropylmethyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 171926239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).