N-[[4-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide

C18H19BrF3N3O — CID 10310169

IUPACN-[[4-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide
SMILESC1CC(CCC1CNC(=O)C(F)(F)F)C2=NC=C(N2)C3=CC=C(C=C3)Br
InChIInChI=1S/C18H19BrF3N3O/c19-14-7-5-12(6-8-14)15-10-23-16(25-15)13-3-1-11(2-4-13)9-24-17(26)18(20,21)22/h5-8,10-11,13H,1-4,9H2,(H,23,25)(H,24,26)
InChIKeyXPNVFAUMCHBTRC-UHFFFAOYSA-N
MW430.30 g/mol
LogP4.40
Rot. Bonds4

About N-[[4-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide

N-[[4-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 10310169) has the molecular formula C18H19BrF3N3O and a molecular weight of 430.30 g/mol. Its IUPAC name is N-[[4-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[4-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide
PubChem CID10310169
Molecular FormulaC18H19BrF3N3O
Molecular Weight430.30 g/mol
Exact Mass429.07
IUPAC NameN-[[4-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide
SMILESC1CC(CCC1CNC(=O)C(F)(F)F)C2=NC=C(N2)C3=CC=C(C=C3)Br
InChIInChI=1S/C18H19BrF3N3O/c19-14-7-5-12(6-8-14)15-10-23-16(25-15)13-3-1-11(2-4-13)9-24-17(26)18(20,21)22/h5-8,10-11,13H,1-4,9H2,(H,23,25)(H,24,26)
InChIKeyXPNVFAUMCHBTRC-UHFFFAOYSA-N
XLogP4.40
TPSA57.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity475

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[4-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide (CID 10310169) is N-[[4-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[4-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[4-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide is C1CC(CCC1CNC(=O)C(F)(F)F)C2=NC=C(N2)C3=CC=C(C=C3)Br.
What is the InChIKey of N-[[4-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is XPNVFAUMCHBTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrF3N3O/c19-14-7-5-12(6-8-14)15-10-23-16(25-15)13-3-1-11(2-4-13)9-24-17(26)18(20,21)22/h5-8,10-11,13H,1-4,9H2,(H,23,25)(H,24,26).
What are the key properties of N-[[4-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide?
N-[[4-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 430.30 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 10310169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).