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

C22H27F3N4O2 — CID 58998962

IUPAC1-(2-cyclopropylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nc(-c2ccc(OC(F)(F)F)cc2)n1CCC1CC1
InChIInChI=1S/C22H27F3N4O2/c1-15-19(21(30)27-28-12-3-2-4-13-28)26-20(29(15)14-11-16-5-6-16)17-7-9-18(10-8-17)31-22(23,24)25/h7-10,16H,2-6,11-14H2,1H3,(H,27,30)
InChIKeyUZHJEDJIGJSTPN-UHFFFAOYSA-N
MW436.48 g/mol
LogP4.69
Rot. Bonds7

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

1-(2-cyclopropylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide (PubChem CID 58998962) has the molecular formula C22H27F3N4O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide
PubChem CID58998962
Molecular FormulaC22H27F3N4O2
Molecular Weight436.48 g/mol
Exact Mass436.21
IUPAC Name1-(2-cyclopropylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nc(-c2ccc(OC(F)(F)F)cc2)n1CCC1CC1
InChIInChI=1S/C22H27F3N4O2/c1-15-19(21(30)27-28-12-3-2-4-13-28)26-20(29(15)14-11-16-5-6-16)17-7-9-18(10-8-17)31-22(23,24)25/h7-10,16H,2-6,11-14H2,1H3,(H,27,30)
InChIKeyUZHJEDJIGJSTPN-UHFFFAOYSA-N
XLogP4.69
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide?
The IUPAC name of 1-(2-cyclopropylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide (CID 58998962) is 1-(2-cyclopropylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-cyclopropylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(2-cyclopropylethyl)-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)n1CCC1CC1.
What is the InChIKey of 1-(2-cyclopropylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide?
The InChIKey is UZHJEDJIGJSTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4O2/c1-15-19(21(30)27-28-12-3-2-4-13-28)26-20(29(15)14-11-16-5-6-16)17-7-9-18(10-8-17)31-22(23,24)25/h7-10,16H,2-6,11-14H2,1H3,(H,27,30).
What are the key properties of 1-(2-cyclopropylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide?
1-(2-cyclopropylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-5-methyl-N-piperidin-1-yl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 58998962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).