2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide

C23H23N5O3S — CID 75124302

IUPAC2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2[nH]c(-c3ccccc3OCCN3CCOCC3)nc12
InChIInChI=1S/C23H23N5O3S/c29-22(27-23-24-8-15-32-23)17-5-3-6-18-20(17)26-21(25-18)16-4-1-2-7-19(16)31-14-11-28-9-12-30-13-10-28/h1-8,15H,9-14H2,(H,25,26)(H,24,27,29)
InChIKeyBXSJTHFUADFIKS-UHFFFAOYSA-N
MW449.54 g/mol
LogP3.65
Rot. Bonds7

About 2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide

2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 75124302) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is 2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID75124302
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC Name2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2[nH]c(-c3ccccc3OCCN3CCOCC3)nc12
InChIInChI=1S/C23H23N5O3S/c29-22(27-23-24-8-15-32-23)17-5-3-6-18-20(17)26-21(25-18)16-4-1-2-7-19(16)31-14-11-28-9-12-30-13-10-28/h1-8,15H,9-14H2,(H,25,26)(H,24,27,29)
InChIKeyBXSJTHFUADFIKS-UHFFFAOYSA-N
XLogP3.65
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide (CID 75124302) is 2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide is O=C(Nc1nccs1)c1cccc2[nH]c(-c3ccccc3OCCN3CCOCC3)nc12.
What is the InChIKey of 2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is BXSJTHFUADFIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c29-22(27-23-24-8-15-32-23)17-5-3-6-18-20(17)26-21(25-18)16-4-1-2-7-19(16)31-14-11-28-9-12-30-13-10-28/h1-8,15H,9-14H2,(H,25,26)(H,24,27,29).
What are the key properties of 2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 449.54 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 75124302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).