N-[1-(1-methylimidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

C24H20F3N3O2 — CID 155214008

IUPACN-[1-(1-methylimidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESCC(NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1nccn1C
InChIInChI=1S/C24H20F3N3O2/c1-15(22-28-12-13-30(22)2)29-23(31)17-6-11-20-16(14-17)4-3-5-21(20)32-19-9-7-18(8-10-19)24(25,26)27/h3-15H,1-2H3,(H,29,31)
InChIKeyAUGMBVPVNSNGMH-UHFFFAOYSA-N
MW439.44 g/mol
LogP5.88
Rot. Bonds5

About N-[1-(1-methylimidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

N-[1-(1-methylimidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (PubChem CID 155214008) has the molecular formula C24H20F3N3O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is N-[1-(1-methylimidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methylimidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
PubChem CID155214008
Molecular FormulaC24H20F3N3O2
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC NameN-[1-(1-methylimidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESCC(NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1nccn1C
InChIInChI=1S/C24H20F3N3O2/c1-15(22-28-12-13-30(22)2)29-23(31)17-6-11-20-16(14-17)4-3-5-21(20)32-19-9-7-18(8-10-19)24(25,26)27/h3-15H,1-2H3,(H,29,31)
InChIKeyAUGMBVPVNSNGMH-UHFFFAOYSA-N
XLogP5.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.44
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Azole, 6
CID 53348136
19-Oxo-2-oxa-9,11,15,18-tetrazapentacyclo[18.6.2.13,7.09,13.024,28]nonacosa-1(27),3,5,7(29),10,12,20,22,24(28),25-decaene-4-carbonitrile
CID 9866971
3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naphthalen-2-yloxymethyl]-benzoic acid
CID 11235737
3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naphthalen-2-yloxy]-2,2,N-trimethyl-propionamide
CID 11475327
4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naphthalen-2-yloxymethyl]-benzoic acid methyl ester
CID 11495962
3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naphthalen-2-yloxymethyl]-benzoic acid methyl ester
CID 11510548
4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naphthalen-2-yloxymethyl]-benzoic acid
CID 11750760
15,20-Dioxo-2-oxa-9,11,16,19-tetrazapentacyclo[19.6.2.13,7.09,13.025,29]triaconta-1(28),3,5,7(30),10,12,21,23,25(29),26-decaene-4-carbonitrile
CID 18475867
N-[(1R)-7-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxy-4-methylbenzamide
CID 138470399
{4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naphthalen-2-yloxymethyl]-phenyl}-acetic acid
CID 11154980
{4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naphthalen-2-yloxymethyl]-phenyl}-acetic acid methyl ester
CID 11633939
20-Oxo-2-oxa-9,11,15,19-tetrazapentacyclo[19.6.2.13,7.09,13.025,29]triaconta-1(28),3,5,7(30),10,12,21,23,25(29),26-decaene-4-carbonitrile
CID 44297001

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylimidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The IUPAC name of N-[1-(1-methylimidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (CID 155214008) is N-[1-(1-methylimidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-[1-(1-methylimidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-[1-(1-methylimidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is CC(NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1nccn1C.
What is the InChIKey of N-[1-(1-methylimidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The InChIKey is AUGMBVPVNSNGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c1-15(22-28-12-13-30(22)2)29-23(31)17-6-11-20-16(14-17)4-3-5-21(20)32-19-9-7-18(8-10-19)24(25,26)27/h3-15H,1-2H3,(H,29,31).
What are the key properties of N-[1-(1-methylimidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
N-[1-(1-methylimidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide has a molecular weight of 439.44 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylimidazol-2-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 155214008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).