2-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,5-dihydroimidazo[1,2-a]pyridine-3-carboxamide

C22H25F3N4O2S — CID 11568937

IUPAC2-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,5-dihydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCCOc1ccc(NC(=S)NC(=O)C2=C(C)NC3=CC=CCN32)cc1C(F)(F)F
InChIInChI=1S/C22H25F3N4O2S/c1-3-4-7-12-31-17-10-9-15(13-16(17)22(23,24)25)27-21(32)28-20(30)19-14(2)26-18-8-5-6-11-29(18)19/h5-6,8-10,13,26H,3-4,7,11-12H2,1-2H3,(H2,27,28,30,32)
InChIKeyVGJJFMJUWKOIRM-UHFFFAOYSA-N
MW466.53 g/mol
LogP4.64
Rot. Bonds7

About 2-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,5-dihydroimidazo[1,2-a]pyridine-3-carboxamide

2-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,5-dihydroimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 11568937) has the molecular formula C22H25F3N4O2S and a molecular weight of 466.53 g/mol. Its IUPAC name is 2-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,5-dihydroimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,5-dihydroimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID11568937
Molecular FormulaC22H25F3N4O2S
Molecular Weight466.53 g/mol
Exact Mass466.17
IUPAC Name2-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,5-dihydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCCOc1ccc(NC(=S)NC(=O)C2=C(C)NC3=CC=CCN32)cc1C(F)(F)F
InChIInChI=1S/C22H25F3N4O2S/c1-3-4-7-12-31-17-10-9-15(13-16(17)22(23,24)25)27-21(32)28-20(30)19-14(2)26-18-8-5-6-11-29(18)19/h5-6,8-10,13,26H,3-4,7,11-12H2,1-2H3,(H2,27,28,30,32)
InChIKeyVGJJFMJUWKOIRM-UHFFFAOYSA-N
XLogP4.64
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,5-dihydroimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,5-dihydroimidazo[1,2-a]pyridine-3-carboxamide (CID 11568937) is 2-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,5-dihydroimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,5-dihydroimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,5-dihydroimidazo[1,2-a]pyridine-3-carboxamide is CCCCCOc1ccc(NC(=S)NC(=O)C2=C(C)NC3=CC=CCN32)cc1C(F)(F)F.
What is the InChIKey of 2-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,5-dihydroimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is VGJJFMJUWKOIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O2S/c1-3-4-7-12-31-17-10-9-15(13-16(17)22(23,24)25)27-21(32)28-20(30)19-14(2)26-18-8-5-6-11-29(18)19/h5-6,8-10,13,26H,3-4,7,11-12H2,1-2H3,(H2,27,28,30,32).
What are the key properties of 2-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,5-dihydroimidazo[1,2-a]pyridine-3-carboxamide?
2-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,5-dihydroimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 466.53 g/mol, XLogP of 4.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,5-dihydroimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 11568937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).