5-(4-chlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine

C18H15ClF3N3 — CID 3999347

IUPAC5-(4-chlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
SMILESCn1c(-c2ccc(Cl)cc2)cnc1NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H15ClF3N3/c1-25-16(13-4-8-15(19)9-5-13)11-24-17(25)23-10-12-2-6-14(7-3-12)18(20,21)22/h2-9,11H,10H2,1H3,(H,23,24)
InChIKeyTZGOWKBPIVFYHX-UHFFFAOYSA-N
MW365.79 g/mol
LogP5.37
Rot. Bonds4

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

5-(4-chlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine (PubChem CID 3999347) has the molecular formula C18H15ClF3N3 and a molecular weight of 365.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
PubChem CID3999347
Molecular FormulaC18H15ClF3N3
Molecular Weight365.79 g/mol
Exact Mass365.09
IUPAC Name5-(4-chlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
SMILESCn1c(-c2ccc(Cl)cc2)cnc1NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H15ClF3N3/c1-25-16(13-4-8-15(19)9-5-13)11-24-17(25)23-10-12-2-6-14(7-3-12)18(20,21)22/h2-9,11H,10H2,1H3,(H,23,24)
InChIKeyTZGOWKBPIVFYHX-UHFFFAOYSA-N
XLogP5.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.79
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine (CID 3999347) is 5-(4-chlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine is Cn1c(-c2ccc(Cl)cc2)cnc1NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
The InChIKey is TZGOWKBPIVFYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3/c1-25-16(13-4-8-15(19)9-5-13)11-24-17(25)23-10-12-2-6-14(7-3-12)18(20,21)22/h2-9,11H,10H2,1H3,(H,23,24).
What are the key properties of 5-(4-chlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine?
5-(4-chlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine has a molecular weight of 365.79 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine is sourced from PubChem (CID 3999347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).