N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-thiomorpholin-3-ylacetamide

C19H19FN4OS — CID 119941337

IUPACN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C19H19FN4OS/c20-13-3-1-12(2-4-13)19-23-16-6-5-14(9-17(16)24-19)22-18(25)10-15-11-26-8-7-21-15/h1-6,9,15,21H,7-8,10-11H2,(H,22,25)(H,23,24)
InChIKeyILXJEGOFKPDFJA-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.40
Rot. Bonds4

About N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-thiomorpholin-3-ylacetamide

N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119941337) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-thiomorpholin-3-ylacetamide
PubChem CID119941337
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC NameN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C19H19FN4OS/c20-13-3-1-12(2-4-13)19-23-16-6-5-14(9-17(16)24-19)22-18(25)10-15-11-26-8-7-21-15/h1-6,9,15,21H,7-8,10-11H2,(H,22,25)(H,23,24)
InChIKeyILXJEGOFKPDFJA-UHFFFAOYSA-N
XLogP3.40
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-thiomorpholin-3-ylacetamide (CID 119941337) is N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is ILXJEGOFKPDFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS/c20-13-3-1-12(2-4-13)19-23-16-6-5-14(9-17(16)24-19)22-18(25)10-15-11-26-8-7-21-15/h1-6,9,15,21H,7-8,10-11H2,(H,22,25)(H,23,24).
What are the key properties of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-thiomorpholin-3-ylacetamide?
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 370.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119941337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).