5-(3,4-dichlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine

C18H14Cl2F3N3 — CID 5140918

IUPAC5-(3,4-dichlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
SMILESCn1c(-c2ccc(Cl)c(Cl)c2)cnc1NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14Cl2F3N3/c1-26-16(12-4-7-14(19)15(20)8-12)10-25-17(26)24-9-11-2-5-13(6-3-11)18(21,22)23/h2-8,10H,9H2,1H3,(H,24,25)
InChIKeyLTQVORZAGHPUOW-UHFFFAOYSA-N
MW400.23 g/mol
LogP6.02
Rot. Bonds4

About 5-(3,4-dichlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine

5-(3,4-dichlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine (PubChem CID 5140918) has the molecular formula C18H14Cl2F3N3 and a molecular weight of 400.23 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
PubChem CID5140918
Molecular FormulaC18H14Cl2F3N3
Molecular Weight400.23 g/mol
Exact Mass399.05
IUPAC Name5-(3,4-dichlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
SMILESCn1c(-c2ccc(Cl)c(Cl)c2)cnc1NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14Cl2F3N3/c1-26-16(12-4-7-14(19)15(20)8-12)10-25-17(26)24-9-11-2-5-13(6-3-11)18(21,22)23/h2-8,10H,9H2,1H3,(H,24,25)
InChIKeyLTQVORZAGHPUOW-UHFFFAOYSA-N
XLogP6.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.23
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
The IUPAC name of 5-(3,4-dichlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine (CID 5140918) is 5-(3,4-dichlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
The canonical SMILES for 5-(3,4-dichlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine is Cn1c(-c2ccc(Cl)c(Cl)c2)cnc1NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
The InChIKey is LTQVORZAGHPUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2F3N3/c1-26-16(12-4-7-14(19)15(20)8-12)10-25-17(26)24-9-11-2-5-13(6-3-11)18(21,22)23/h2-8,10H,9H2,1H3,(H,24,25).
What are the key properties of 5-(3,4-dichlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
5-(3,4-dichlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine has a molecular weight of 400.23 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine is sourced from PubChem (CID 5140918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).