2-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-1-morpholin-4-ylethanone

C21H20ClN3O2 — CID 16999857

IUPAC2-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21)N1CCOCC1
InChIInChI=1S/C21H20ClN3O2/c22-17-8-5-16(6-9-17)7-10-20-23-18-3-1-2-4-19(18)25(20)15-21(26)24-11-13-27-14-12-24/h1-10H,11-15H2/b10-7+
InChIKeyUPKUWGUNXPZMHE-JXMROGBWSA-N
MW381.86 g/mol
LogP3.72
Rot. Bonds4

About 2-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-1-morpholin-4-ylethanone

2-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 16999857) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 2-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-1-morpholin-4-ylethanone
PubChem CID16999857
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name2-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21)N1CCOCC1
InChIInChI=1S/C21H20ClN3O2/c22-17-8-5-16(6-9-17)7-10-20-23-18-3-1-2-4-19(18)25(20)15-21(26)24-11-13-27-14-12-24/h1-10H,11-15H2/b10-7+
InChIKeyUPKUWGUNXPZMHE-JXMROGBWSA-N
XLogP3.72
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-1-morpholin-4-ylethanone (CID 16999857) is 2-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-1-morpholin-4-ylethanone is O=C(Cn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21)N1CCOCC1.
What is the InChIKey of 2-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is UPKUWGUNXPZMHE-JXMROGBWSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c22-17-8-5-16(6-9-17)7-10-20-23-18-3-1-2-4-19(18)25(20)15-21(26)24-11-13-27-14-12-24/h1-10H,11-15H2/b10-7+.
What are the key properties of 2-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-1-morpholin-4-ylethanone?
2-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 381.86 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 16999857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).