2,6-difluoro-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]benzamide

C22H19F2N5O2S — CID 11518153

IUPAC2,6-difluoro-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]benzamide
SMILESO=C(Nc1scnc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1c(F)cccc1F
InChIInChI=1S/C22H19F2N5O2S/c23-14-2-1-3-15(24)18(14)21(30)28-22-19(25-12-32-22)20-26-16-5-4-13(10-17(16)27-20)11-29-6-8-31-9-7-29/h1-5,10,12H,6-9,11H2,(H,26,27)(H,28,30)
InChIKeyIVMDWVCZBOPOFR-UHFFFAOYSA-N
MW455.49 g/mol
LogP4.05
Rot. Bonds5

About 2,6-difluoro-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]benzamide

2,6-difluoro-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]benzamide (PubChem CID 11518153) has the molecular formula C22H19F2N5O2S and a molecular weight of 455.49 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]benzamide
PubChem CID11518153
Molecular FormulaC22H19F2N5O2S
Molecular Weight455.49 g/mol
Exact Mass455.12
IUPAC Name2,6-difluoro-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]benzamide
SMILESO=C(Nc1scnc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1c(F)cccc1F
InChIInChI=1S/C22H19F2N5O2S/c23-14-2-1-3-15(24)18(14)21(30)28-22-19(25-12-32-22)20-26-16-5-4-13(10-17(16)27-20)11-29-6-8-31-9-7-29/h1-5,10,12H,6-9,11H2,(H,26,27)(H,28,30)
InChIKeyIVMDWVCZBOPOFR-UHFFFAOYSA-N
XLogP4.05
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]benzamide (CID 11518153) is 2,6-difluoro-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]benzamide is O=C(Nc1scnc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]benzamide?
The InChIKey is IVMDWVCZBOPOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O2S/c23-14-2-1-3-15(24)18(14)21(30)28-22-19(25-12-32-22)20-26-16-5-4-13(10-17(16)27-20)11-29-6-8-31-9-7-29/h1-5,10,12H,6-9,11H2,(H,26,27)(H,28,30).
What are the key properties of 2,6-difluoro-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]benzamide?
2,6-difluoro-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]benzamide has a molecular weight of 455.49 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]benzamide is sourced from PubChem (CID 11518153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).