4-imidazol-1-yl-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide

C25H24N4O2S — CID 127032916

IUPAC4-imidazol-1-yl-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide
SMILESO=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C25H24N4O2S/c30-23(20-6-8-21(9-7-20)29-13-12-26-18-29)27-17-25(10-14-31-15-11-25)24-28-22(16-32-24)19-4-2-1-3-5-19/h1-9,12-13,16,18H,10-11,14-15,17H2,(H,27,30)
InChIKeySUAPKJJEFZZRRC-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.47
Rot. Bonds6

About 4-imidazol-1-yl-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide

4-imidazol-1-yl-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide (PubChem CID 127032916) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide
PubChem CID127032916
Molecular FormulaC25H24N4O2S
Molecular Weight444.56 g/mol
Exact Mass444.16
IUPAC Name4-imidazol-1-yl-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide
SMILESO=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C25H24N4O2S/c30-23(20-6-8-21(9-7-20)29-13-12-26-18-29)27-17-25(10-14-31-15-11-25)24-28-22(16-32-24)19-4-2-1-3-5-19/h1-9,12-13,16,18H,10-11,14-15,17H2,(H,27,30)
InChIKeySUAPKJJEFZZRRC-UHFFFAOYSA-N
XLogP4.47
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide?
The IUPAC name of 4-imidazol-1-yl-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide (CID 127032916) is 4-imidazol-1-yl-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for 4-imidazol-1-yl-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for 4-imidazol-1-yl-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide is O=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-imidazol-1-yl-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide?
The InChIKey is SUAPKJJEFZZRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S/c30-23(20-6-8-21(9-7-20)29-13-12-26-18-29)27-17-25(10-14-31-15-11-25)24-28-22(16-32-24)19-4-2-1-3-5-19/h1-9,12-13,16,18H,10-11,14-15,17H2,(H,27,30).
What are the key properties of 4-imidazol-1-yl-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide?
4-imidazol-1-yl-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide has a molecular weight of 444.56 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 127032916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).