N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine

C15H15F3N4S — CID 166317023

IUPACN-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine
SMILESCc1nc2ccc(CNCCc3nc(C(F)(F)F)cs3)cc2[nH]1
InChIInChI=1S/C15H15F3N4S/c1-9-20-11-3-2-10(6-12(11)21-9)7-19-5-4-14-22-13(8-23-14)15(16,17)18/h2-3,6,8,19H,4-5,7H2,1H3,(H,20,21)
InChIKeyJKARXMCVRRZKRG-UHFFFAOYSA-N
MW340.37 g/mol
LogP3.68
Rot. Bonds5

About N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine

N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 166317023) has the molecular formula C15H15F3N4S and a molecular weight of 340.37 g/mol. Its IUPAC name is N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID166317023
Molecular FormulaC15H15F3N4S
Molecular Weight340.37 g/mol
Exact Mass340.10
IUPAC NameN-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine
SMILESCc1nc2ccc(CNCCc3nc(C(F)(F)F)cs3)cc2[nH]1
InChIInChI=1S/C15H15F3N4S/c1-9-20-11-3-2-10(6-12(11)21-9)7-19-5-4-14-22-13(8-23-14)15(16,17)18/h2-3,6,8,19H,4-5,7H2,1H3,(H,20,21)
InChIKeyJKARXMCVRRZKRG-UHFFFAOYSA-N
XLogP3.68
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine
CID 115195888
4-[(2-methyl-3H-benzimidazol-5-yl)methylamino]butan-2-one
CID 115235708
N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115260836
2-amino-4-[(2-methyl-3H-benzimidazol-5-yl)methylamino]butanoic acid
CID 115241223
2-(2-methyl-3H-benzimidazol-5-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115209022
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115244142
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 46977755
N-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine
CID 96671773
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369
3-methyl-3-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]butane-1,3-diamine
CID 115134746
4-[[2-(4-tert-butyl-1,3-thiazol-2-yl)ethylamino]methyl]benzonitrile
CID 119123789

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine (CID 166317023) is N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine is Cc1nc2ccc(CNCCc3nc(C(F)(F)F)cs3)cc2[nH]1.
What is the InChIKey of N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is JKARXMCVRRZKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4S/c1-9-20-11-3-2-10(6-12(11)21-9)7-19-5-4-14-22-13(8-23-14)15(16,17)18/h2-3,6,8,19H,4-5,7H2,1H3,(H,20,21).
What are the key properties of N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine?
N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 340.37 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 166317023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).