4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)morpholine

C19H20FN3O3S — CID 71451430

IUPAC4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)morpholine
SMILESCCS(=O)(=O)c1ccc2nc(N3CCOC(c4ccc(F)cc4)C3)[nH]c2c1
InChIInChI=1S/C19H20FN3O3S/c1-2-27(24,25)15-7-8-16-17(11-15)22-19(21-16)23-9-10-26-18(12-23)13-3-5-14(20)6-4-13/h3-8,11,18H,2,9-10,12H2,1H3,(H,21,22)
InChIKeyMGWUAVNRNAHPHM-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.07
Rot. Bonds4

About 4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)morpholine

4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)morpholine (PubChem CID 71451430) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is 4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)morpholine.

Molecular Properties

Compound Name4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)morpholine
PubChem CID71451430
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)morpholine
SMILESCCS(=O)(=O)c1ccc2nc(N3CCOC(c4ccc(F)cc4)C3)[nH]c2c1
InChIInChI=1S/C19H20FN3O3S/c1-2-27(24,25)15-7-8-16-17(11-15)22-19(21-16)23-9-10-26-18(12-23)13-3-5-14(20)6-4-13/h3-8,11,18H,2,9-10,12H2,1H3,(H,21,22)
InChIKeyMGWUAVNRNAHPHM-UHFFFAOYSA-N
XLogP3.07
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)morpholine?
The IUPAC name of 4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)morpholine (CID 71451430) is 4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)morpholine.
What is the SMILES notation for 4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)morpholine?
The canonical SMILES for 4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)morpholine is CCS(=O)(=O)c1ccc2nc(N3CCOC(c4ccc(F)cc4)C3)[nH]c2c1.
What is the InChIKey of 4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)morpholine?
The InChIKey is MGWUAVNRNAHPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-2-27(24,25)15-7-8-16-17(11-15)22-19(21-16)23-9-10-26-18(12-23)13-3-5-14(20)6-4-13/h3-8,11,18H,2,9-10,12H2,1H3,(H,21,22).
What are the key properties of 4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)morpholine?
4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)morpholine has a molecular weight of 389.45 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)morpholine is sourced from PubChem (CID 71451430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).