N-[[2-chloro-1-[(2Z,4Z)-2,4-dimethylhepta-2,4-dienyl]-6-(trifluoromethyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine

C23H32ClF3N4 — CID 142157184

IUPACN-[[2-chloro-1-[(2Z,4Z)-2,4-dimethylhepta-2,4-dienyl]-6-(trifluoromethyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine
SMILESCC/C=C(C)\C=C(\C)Cn1c(Cl)cn2c(CN(CCC)CC3CC3)c(C(F)(F)F)nc12
InChIInChI=1S/C23H32ClF3N4/c1-5-7-16(3)11-17(4)12-31-20(24)15-30-19(21(23(25,26)27)28-22(30)31)14-29(10-6-2)13-18-8-9-18/h7,11,15,18H,5-6,8-10,12-14H2,1-4H3/b16-7-,17-11-
InChIKeyLFJMTNVMASIPRX-NFJHNLFSSA-N
MW456.98 g/mol
LogP6.73
Rot. Bonds10

About N-[[2-chloro-1-[(2Z,4Z)-2,4-dimethylhepta-2,4-dienyl]-6-(trifluoromethyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine

N-[[2-chloro-1-[(2Z,4Z)-2,4-dimethylhepta-2,4-dienyl]-6-(trifluoromethyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine (PubChem CID 142157184) has the molecular formula C23H32ClF3N4 and a molecular weight of 456.98 g/mol. Its IUPAC name is N-[[2-chloro-1-[(2Z,4Z)-2,4-dimethylhepta-2,4-dienyl]-6-(trifluoromethyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[[2-chloro-1-[(2Z,4Z)-2,4-dimethylhepta-2,4-dienyl]-6-(trifluoromethyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine
PubChem CID142157184
Molecular FormulaC23H32ClF3N4
Molecular Weight456.98 g/mol
Exact Mass456.23
IUPAC NameN-[[2-chloro-1-[(2Z,4Z)-2,4-dimethylhepta-2,4-dienyl]-6-(trifluoromethyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine
SMILESCC/C=C(C)\C=C(\C)Cn1c(Cl)cn2c(CN(CCC)CC3CC3)c(C(F)(F)F)nc12
InChIInChI=1S/C23H32ClF3N4/c1-5-7-16(3)11-17(4)12-31-20(24)15-30-19(21(23(25,26)27)28-22(30)31)14-29(10-6-2)13-18-8-9-18/h7,11,15,18H,5-6,8-10,12-14H2,1-4H3/b16-7-,17-11-
InChIKeyLFJMTNVMASIPRX-NFJHNLFSSA-N
XLogP6.73
TPSA25.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.98
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[2-chloro-1-[(2Z,4Z)-2,4-dimethylhepta-2,4-dienyl]-6-(trifluoromethyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-(cyclobutylmethyl)-N-[[4-(trifluoromethyl)-7-(2,4,6-trimethylphenyl)-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]propan-1-amine
CID 20780145
N-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 783025
N-(cyclopropylmethyl)-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103438328
4-chloro-2-[[cyclopropylmethyl(propyl)amino]methyl]aniline
CID 79582315
N-(cyclopropylmethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 134001099
N-(cyclopropylmethyl)-3,3,3-trifluoro-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]propan-1-amine
CID 20780074
5-[[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 10164617
N-(cyclobutylmethyl)-N-[[4-(2,4-dichlorophenyl)-2-(trifluoromethyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]-2,2,2-trifluoroethanamine
CID 20780044
N-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine
CID 61445615
1-methyl-5-[[piperidin-4-ylmethyl(propyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116632449
2-[2-[cyclopropylmethyl(propyl)amino]-1-hydroxyethyl]-4-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
CID 10346695

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-1-[(2Z,4Z)-2,4-dimethylhepta-2,4-dienyl]-6-(trifluoromethyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine?
The IUPAC name of N-[[2-chloro-1-[(2Z,4Z)-2,4-dimethylhepta-2,4-dienyl]-6-(trifluoromethyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine (CID 142157184) is N-[[2-chloro-1-[(2Z,4Z)-2,4-dimethylhepta-2,4-dienyl]-6-(trifluoromethyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine.
What is the SMILES notation for N-[[2-chloro-1-[(2Z,4Z)-2,4-dimethylhepta-2,4-dienyl]-6-(trifluoromethyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine?
The canonical SMILES for N-[[2-chloro-1-[(2Z,4Z)-2,4-dimethylhepta-2,4-dienyl]-6-(trifluoromethyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine is CC/C=C(C)\C=C(\C)Cn1c(Cl)cn2c(CN(CCC)CC3CC3)c(C(F)(F)F)nc12.
What is the InChIKey of N-[[2-chloro-1-[(2Z,4Z)-2,4-dimethylhepta-2,4-dienyl]-6-(trifluoromethyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine?
The InChIKey is LFJMTNVMASIPRX-NFJHNLFSSA-N. The full InChI is InChI=1S/C23H32ClF3N4/c1-5-7-16(3)11-17(4)12-31-20(24)15-30-19(21(23(25,26)27)28-22(30)31)14-29(10-6-2)13-18-8-9-18/h7,11,15,18H,5-6,8-10,12-14H2,1-4H3/b16-7-,17-11-.
What are the key properties of N-[[2-chloro-1-[(2Z,4Z)-2,4-dimethylhepta-2,4-dienyl]-6-(trifluoromethyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine?
N-[[2-chloro-1-[(2Z,4Z)-2,4-dimethylhepta-2,4-dienyl]-6-(trifluoromethyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine has a molecular weight of 456.98 g/mol, XLogP of 6.73, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-1-[(2Z,4Z)-2,4-dimethylhepta-2,4-dienyl]-6-(trifluoromethyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine is sourced from PubChem (CID 142157184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).