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

C19H20ClN3O3S — CID 71462130

IUPAC2-(4-chlorophenyl)-4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)morpholine
SMILESCCS(=O)(=O)c1ccc2nc(N3CCOC(c4ccc(Cl)cc4)C3)[nH]c2c1
InChIInChI=1S/C19H20ClN3O3S/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)
InChIKeyRSRJKYSNIMINDZ-UHFFFAOYSA-N
MW405.91 g/mol
LogP3.59
Rot. Bonds4

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

2-(4-chlorophenyl)-4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)morpholine (PubChem CID 71462130) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)morpholine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)morpholine
PubChem CID71462130
Molecular FormulaC19H20ClN3O3S
Molecular Weight405.91 g/mol
Exact Mass405.09
IUPAC Name2-(4-chlorophenyl)-4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)morpholine
SMILESCCS(=O)(=O)c1ccc2nc(N3CCOC(c4ccc(Cl)cc4)C3)[nH]c2c1
InChIInChI=1S/C19H20ClN3O3S/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)
InChIKeyRSRJKYSNIMINDZ-UHFFFAOYSA-N
XLogP3.59
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)-4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)morpholine?
The IUPAC name of 2-(4-chlorophenyl)-4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)morpholine (CID 71462130) is 2-(4-chlorophenyl)-4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)morpholine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)morpholine?
The canonical SMILES for 2-(4-chlorophenyl)-4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)morpholine is CCS(=O)(=O)c1ccc2nc(N3CCOC(c4ccc(Cl)cc4)C3)[nH]c2c1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)morpholine?
The InChIKey is RSRJKYSNIMINDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/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 2-(4-chlorophenyl)-4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)morpholine?
2-(4-chlorophenyl)-4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)morpholine has a molecular weight of 405.91 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)morpholine is sourced from PubChem (CID 71462130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).