1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide

C25H33F3N4O2 — CID 58998999

IUPAC1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nc(-c2ccc(OC(F)(F)F)cc2)n1CCC1CCCCC1
InChIInChI=1S/C25H33F3N4O2/c1-18-22(24(33)30-31-15-6-3-7-16-31)29-23(32(18)17-14-19-8-4-2-5-9-19)20-10-12-21(13-11-20)34-25(26,27)28/h10-13,19H,2-9,14-17H2,1H3,(H,30,33)
InChIKeySYIORTKTFRYNTB-UHFFFAOYSA-N
MW478.56 g/mol
LogP5.86
Rot. Bonds7

About 1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide

1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide (PubChem CID 58998999) has the molecular formula C25H33F3N4O2 and a molecular weight of 478.56 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide
PubChem CID58998999
Molecular FormulaC25H33F3N4O2
Molecular Weight478.56 g/mol
Exact Mass478.26
IUPAC Name1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nc(-c2ccc(OC(F)(F)F)cc2)n1CCC1CCCCC1
InChIInChI=1S/C25H33F3N4O2/c1-18-22(24(33)30-31-15-6-3-7-16-31)29-23(32(18)17-14-19-8-4-2-5-9-19)20-10-12-21(13-11-20)34-25(26,27)28/h10-13,19H,2-9,14-17H2,1H3,(H,30,33)
InChIKeySYIORTKTFRYNTB-UHFFFAOYSA-N
XLogP5.86
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.56
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide with MolForge

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Related Compounds

8-(4-Methoxy-phenyl)-1-methyl-9-phenethyl-3,9-dihydro-purine-2,6-dione
CID 654784
8-(4-methoxyphenyl)-1-methyl-9-propyl-3H-purine-2,6-dione
CID 824004
3-Benzyl-8-(4-methoxyphenyl)-7-(3-methoxypropyl)purine-2,6-dione
CID 3272409
3,7-Dibenzyl-8-(4-methoxyphenyl)purine-2,6-dione
CID 4160822
7-Butyl-8-[4-(difluoromethoxy)phenyl]-3-(2-methylpropyl)purine-2,6-dione
CID 4687375
8-(4-Methoxyphenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione
CID 4878574
(R)-1-(3,4-difluorobenzyl)-5-ethyl-7-isopropyl-2-(4-(trifluoromethoxy)phenyl)-7,8-dihydro-1H-imidazo[2,1-b]purin-4(5H)-one
CID 54581643
9-Butyl-8-(4-methoxy-phenyl)-1-methyl-3,9-dihydro-purine-2,6-dione
CID 1875852
8-[4-(Difluoromethoxy)phenyl]-7-(2-morpholin-4-ylethyl)-3-propylpurine-2,6-dione
CID 3629622
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-6-(octylamino)-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione
CID 44430973
8-{(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl}-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
CID 5914157
1-[(4-methoxyphenyl)methyl]-6-(octylamino)-2-phenyl-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione
CID 44430971

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide?
The IUPAC name of 1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide (CID 58998999) is 1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide is Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(OC(F)(F)F)cc2)n1CCC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide?
The InChIKey is SYIORTKTFRYNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F3N4O2/c1-18-22(24(33)30-31-15-6-3-7-16-31)29-23(32(18)17-14-19-8-4-2-5-9-19)20-10-12-21(13-11-20)34-25(26,27)28/h10-13,19H,2-9,14-17H2,1H3,(H,30,33).
What are the key properties of 1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide?
1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide has a molecular weight of 478.56 g/mol, XLogP of 5.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 58998999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).