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

C23H22FN5O3S — CID 58278809

IUPAC2-[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2[nH]c(-c3ccc(F)cc3OCCN3CCOCC3)nc12
InChIInChI=1S/C23H22FN5O3S/c24-15-4-5-16(19(14-15)32-12-9-29-7-10-31-11-8-29)21-26-18-3-1-2-17(20(18)27-21)22(30)28-23-25-6-13-33-23/h1-6,13-14H,7-12H2,(H,26,27)(H,25,28,30)
InChIKeyKXWZAOZFMLUAFP-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.79
Rot. Bonds7

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

2-[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 58278809) has the molecular formula C23H22FN5O3S and a molecular weight of 467.53 g/mol. Its IUPAC name is 2-[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID58278809
Molecular FormulaC23H22FN5O3S
Molecular Weight467.53 g/mol
Exact Mass467.14
IUPAC Name2-[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2[nH]c(-c3ccc(F)cc3OCCN3CCOCC3)nc12
InChIInChI=1S/C23H22FN5O3S/c24-15-4-5-16(19(14-15)32-12-9-29-7-10-31-11-8-29)21-26-18-3-1-2-17(20(18)27-21)22(30)28-23-25-6-13-33-23/h1-6,13-14H,7-12H2,(H,26,27)(H,25,28,30)
InChIKeyKXWZAOZFMLUAFP-UHFFFAOYSA-N
XLogP3.79
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide (CID 58278809) is 2-[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide is O=C(Nc1nccs1)c1cccc2[nH]c(-c3ccc(F)cc3OCCN3CCOCC3)nc12.
What is the InChIKey of 2-[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is KXWZAOZFMLUAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3S/c24-15-4-5-16(19(14-15)32-12-9-29-7-10-31-11-8-29)21-26-18-3-1-2-17(20(18)27-21)22(30)28-23-25-6-13-33-23/h1-6,13-14H,7-12H2,(H,26,27)(H,25,28,30).
What are the key properties of 2-[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
2-[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58278809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).