N,N-dimethyl-1-[3-methyl-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine;ethane

C23H40F3N3 — CID 177140943

IUPACN,N-dimethyl-1-[3-methyl-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine;ethane
SMILESCC.CC.CC.Cc1cc(CN(C)C)ccc1-c1nc(C(F)(F)F)cn1C(C)C
InChIInChI=1S/C17H22F3N3.3C2H6/c1-11(2)23-10-15(17(18,19)20)21-16(23)14-7-6-13(8-12(14)3)9-22(4)5;3*1-2/h6-8,10-11H,9H2,1-5H3;3*1-2H3
InChIKeySUNRZVLDOLOMHV-UHFFFAOYSA-N
MW415.59 g/mol
LogP7.60
Rot. Bonds4

About N,N-dimethyl-1-[3-methyl-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine;ethane

N,N-dimethyl-1-[3-methyl-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine;ethane (PubChem CID 177140943) has the molecular formula C23H40F3N3 and a molecular weight of 415.59 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-methyl-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-methyl-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine;ethane
PubChem CID177140943
Molecular FormulaC23H40F3N3
Molecular Weight415.59 g/mol
Exact Mass415.32
IUPAC NameN,N-dimethyl-1-[3-methyl-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine;ethane
SMILESCC.CC.CC.Cc1cc(CN(C)C)ccc1-c1nc(C(F)(F)F)cn1C(C)C
InChIInChI=1S/C17H22F3N3.3C2H6/c1-11(2)23-10-15(17(18,19)20)21-16(23)14-7-6-13(8-12(14)3)9-22(4)5;3*1-2/h6-8,10-11H,9H2,1-5H3;3*1-2H3
InChIKeySUNRZVLDOLOMHV-UHFFFAOYSA-N
XLogP7.60
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.59
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-1-[3-methyl-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine;ethane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-methyl-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine;ethane?
The IUPAC name of N,N-dimethyl-1-[3-methyl-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine;ethane (CID 177140943) is N,N-dimethyl-1-[3-methyl-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine;ethane.
What is the SMILES notation for N,N-dimethyl-1-[3-methyl-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine;ethane?
The canonical SMILES for N,N-dimethyl-1-[3-methyl-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine;ethane is CC.CC.CC.Cc1cc(CN(C)C)ccc1-c1nc(C(F)(F)F)cn1C(C)C.
What is the InChIKey of N,N-dimethyl-1-[3-methyl-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine;ethane?
The InChIKey is SUNRZVLDOLOMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3.3C2H6/c1-11(2)23-10-15(17(18,19)20)21-16(23)14-7-6-13(8-12(14)3)9-22(4)5;3*1-2/h6-8,10-11H,9H2,1-5H3;3*1-2H3.
What are the key properties of N,N-dimethyl-1-[3-methyl-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine;ethane?
N,N-dimethyl-1-[3-methyl-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine;ethane has a molecular weight of 415.59 g/mol, XLogP of 7.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-methyl-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine;ethane is sourced from PubChem (CID 177140943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).