(4-chlorophenyl)-[2-[(R)-2-morpholin-4-ylethylsulfinyl]benzimidazol-1-yl]methanone

C20H20ClN3O3S — CID 92966060

IUPAC(4-chlorophenyl)-[2-[(R)-2-morpholin-4-ylethylsulfinyl]benzimidazol-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)n1c([S@](=O)CCN2CCOCC2)nc2ccccc21
InChIInChI=1S/C20H20ClN3O3S/c21-16-7-5-15(6-8-16)19(25)24-18-4-2-1-3-17(18)22-20(24)28(26)14-11-23-9-12-27-13-10-23/h1-8H,9-14H2/t28-/m1/s1
InChIKeyHIZXWWLVASOJOO-MUUNZHRXSA-N
MW417.92 g/mol
LogP2.82
Rot. Bonds5

About (4-chlorophenyl)-[2-[(R)-2-morpholin-4-ylethylsulfinyl]benzimidazol-1-yl]methanone

(4-chlorophenyl)-[2-[(R)-2-morpholin-4-ylethylsulfinyl]benzimidazol-1-yl]methanone (PubChem CID 92966060) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-[(R)-2-morpholin-4-ylethylsulfinyl]benzimidazol-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-[(R)-2-morpholin-4-ylethylsulfinyl]benzimidazol-1-yl]methanone
PubChem CID92966060
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC Name(4-chlorophenyl)-[2-[(R)-2-morpholin-4-ylethylsulfinyl]benzimidazol-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)n1c([S@](=O)CCN2CCOCC2)nc2ccccc21
InChIInChI=1S/C20H20ClN3O3S/c21-16-7-5-15(6-8-16)19(25)24-18-4-2-1-3-17(18)22-20(24)28(26)14-11-23-9-12-27-13-10-23/h1-8H,9-14H2/t28-/m1/s1
InChIKeyHIZXWWLVASOJOO-MUUNZHRXSA-N
XLogP2.82
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-[(R)-2-morpholin-4-ylethylsulfinyl]benzimidazol-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[2-[(R)-2-morpholin-4-ylethylsulfinyl]benzimidazol-1-yl]methanone (CID 92966060) is (4-chlorophenyl)-[2-[(R)-2-morpholin-4-ylethylsulfinyl]benzimidazol-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[2-[(R)-2-morpholin-4-ylethylsulfinyl]benzimidazol-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[2-[(R)-2-morpholin-4-ylethylsulfinyl]benzimidazol-1-yl]methanone is O=C(c1ccc(Cl)cc1)n1c([S@](=O)CCN2CCOCC2)nc2ccccc21.
What is the InChIKey of (4-chlorophenyl)-[2-[(R)-2-morpholin-4-ylethylsulfinyl]benzimidazol-1-yl]methanone?
The InChIKey is HIZXWWLVASOJOO-MUUNZHRXSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c21-16-7-5-15(6-8-16)19(25)24-18-4-2-1-3-17(18)22-20(24)28(26)14-11-23-9-12-27-13-10-23/h1-8H,9-14H2/t28-/m1/s1.
What are the key properties of (4-chlorophenyl)-[2-[(R)-2-morpholin-4-ylethylsulfinyl]benzimidazol-1-yl]methanone?
(4-chlorophenyl)-[2-[(R)-2-morpholin-4-ylethylsulfinyl]benzimidazol-1-yl]methanone has a molecular weight of 417.92 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-[(R)-2-morpholin-4-ylethylsulfinyl]benzimidazol-1-yl]methanone is sourced from PubChem (CID 92966060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).