1,1,1-trifluoro-N-[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide

C24H23F3N4O3S — CID 18440758

IUPAC1,1,1-trifluoro-N-[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide
SMILESCOc1ccc2cc(-c3nc(C(C)(C)CNS(=O)(=O)C(F)(F)F)[nH]c3-c3ccncc3)ccc2c1
InChIInChI=1S/C24H23F3N4O3S/c1-23(2,14-29-35(32,33)24(25,26)27)22-30-20(15-8-10-28-11-9-15)21(31-22)18-5-4-17-13-19(34-3)7-6-16(17)12-18/h4-13,29H,14H2,1-3H3,(H,30,31)
InChIKeyZGYWXYAGKLRKIE-UHFFFAOYSA-N
MW504.53 g/mol
LogP5.02
Rot. Bonds7

About 1,1,1-trifluoro-N-[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide

1,1,1-trifluoro-N-[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide (PubChem CID 18440758) has the molecular formula C24H23F3N4O3S and a molecular weight of 504.53 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide
PubChem CID18440758
Molecular FormulaC24H23F3N4O3S
Molecular Weight504.53 g/mol
Exact Mass504.14
IUPAC Name1,1,1-trifluoro-N-[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide
SMILESCOc1ccc2cc(-c3nc(C(C)(C)CNS(=O)(=O)C(F)(F)F)[nH]c3-c3ccncc3)ccc2c1
InChIInChI=1S/C24H23F3N4O3S/c1-23(2,14-29-35(32,33)24(25,26)27)22-30-20(15-8-10-28-11-9-15)21(31-22)18-5-4-17-13-19(34-3)7-6-16(17)12-18/h4-13,29H,14H2,1-3H3,(H,30,31)
InChIKeyZGYWXYAGKLRKIE-UHFFFAOYSA-N
XLogP5.02
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.53
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide (CID 18440758) is 1,1,1-trifluoro-N-[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide is COc1ccc2cc(-c3nc(C(C)(C)CNS(=O)(=O)C(F)(F)F)[nH]c3-c3ccncc3)ccc2c1.
What is the InChIKey of 1,1,1-trifluoro-N-[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide?
The InChIKey is ZGYWXYAGKLRKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O3S/c1-23(2,14-29-35(32,33)24(25,26)27)22-30-20(15-8-10-28-11-9-15)21(31-22)18-5-4-17-13-19(34-3)7-6-16(17)12-18/h4-13,29H,14H2,1-3H3,(H,30,31).
What are the key properties of 1,1,1-trifluoro-N-[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide?
1,1,1-trifluoro-N-[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide has a molecular weight of 504.53 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]methanesulfonamide is sourced from PubChem (CID 18440758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).