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
SMILESO=C(NCC1CCC(c2ncc(-c3ccc(Br)cc3)[nH]2)CC1)C(F)(F)F
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
MW430.27 g/mol
LogP4.79
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 430.27 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 Weight430.27 g/mol
Exact Mass429.07
IUPAC NameN-[[4-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCC1CCC(c2ncc(-c3ccc(Br)cc3)[nH]2)CC1)C(F)(F)F
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
XLogP4.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.27
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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 O=C(NCC1CCC(c2ncc(-c3ccc(Br)cc3)[nH]2)CC1)C(F)(F)F.
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 430.27 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 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).