1-ethyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxamide

C19H24F3N5O — CID 167974059

IUPAC1-ethyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxamide
SMILESCCn1ccnc1C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1
InChIInChI=1S/C19H24F3N5O/c1-3-26-7-6-23-17(26)18(28)24-13-14-12-15(19(20,21)22)4-5-16(14)27-10-8-25(2)9-11-27/h4-7,12H,3,8-11,13H2,1-2H3,(H,24,28)
InChIKeyKSYCIWAMKAUXME-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.60
Rot. Bonds5

About 1-ethyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxamide

1-ethyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxamide (PubChem CID 167974059) has the molecular formula C19H24F3N5O and a molecular weight of 395.43 g/mol. Its IUPAC name is 1-ethyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxamide
PubChem CID167974059
Molecular FormulaC19H24F3N5O
Molecular Weight395.43 g/mol
Exact Mass395.19
IUPAC Name1-ethyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxamide
SMILESCCn1ccnc1C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1
InChIInChI=1S/C19H24F3N5O/c1-3-26-7-6-23-17(26)18(28)24-13-14-12-15(19(20,21)22)4-5-16(14)27-10-8-25(2)9-11-27/h4-7,12H,3,8-11,13H2,1-2H3,(H,24,28)
InChIKeyKSYCIWAMKAUXME-UHFFFAOYSA-N
XLogP2.60
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxamide 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

2-methyl-1-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]-3-propylguanidine;hydroiodide
CID 111773649
N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 698325
1-(1,1-dioxothiolan-3-yl)-2-methyl-3-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111772301
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111774329
1,2-dimethyl-3-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]-1-(oxolan-3-ylmethyl)guanidine
CID 109385187
1-[(4-fluorophenyl)methyl]-3-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]-1-(oxan-4-yl)urea
CID 154877925
1-ethyl-2-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]-3-propylguanidine;hydroiodide
CID 111773665
1-butyl-2-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]guanidine
CID 111819260
2-methyl-1-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111772210
1-(3-methylbutyl)-2-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]guanidine
CID 111819238
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 3472528
N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 37442200

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxamide?
The IUPAC name of 1-ethyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxamide (CID 167974059) is 1-ethyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxamide is CCn1ccnc1C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1.
What is the InChIKey of 1-ethyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxamide?
The InChIKey is KSYCIWAMKAUXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O/c1-3-26-7-6-23-17(26)18(28)24-13-14-12-15(19(20,21)22)4-5-16(14)27-10-8-25(2)9-11-27/h4-7,12H,3,8-11,13H2,1-2H3,(H,24,28).
What are the key properties of 1-ethyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxamide?
1-ethyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxamide is sourced from PubChem (CID 167974059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).