2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one

C21H21Cl2N3O2 — CID 42810175

IUPAC2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)n1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21
InChIInChI=1S/C21H21Cl2N3O2/c1-14(21(27)25-8-10-28-11-9-25)26-19-5-3-2-4-18(19)24-20(26)13-15-6-7-16(22)17(23)12-15/h2-7,12,14H,8-11,13H2,1H3
InChIKeyHBJSDLDGODCEEK-UHFFFAOYSA-N
MW418.32 g/mol
LogP4.35
Rot. Bonds4

About 2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one

2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 42810175) has the molecular formula C21H21Cl2N3O2 and a molecular weight of 418.32 g/mol. Its IUPAC name is 2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID42810175
Molecular FormulaC21H21Cl2N3O2
Molecular Weight418.32 g/mol
Exact Mass417.10
IUPAC Name2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)n1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21
InChIInChI=1S/C21H21Cl2N3O2/c1-14(21(27)25-8-10-28-11-9-25)26-19-5-3-2-4-18(19)24-20(26)13-15-6-7-16(22)17(23)12-15/h2-7,12,14H,8-11,13H2,1H3
InChIKeyHBJSDLDGODCEEK-UHFFFAOYSA-N
XLogP4.35
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one (CID 42810175) is 2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one is CC(C(=O)N1CCOCC1)n1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21.
What is the InChIKey of 2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is HBJSDLDGODCEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O2/c1-14(21(27)25-8-10-28-11-9-25)26-19-5-3-2-4-18(19)24-20(26)13-15-6-7-16(22)17(23)12-15/h2-7,12,14H,8-11,13H2,1H3.
What are the key properties of 2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one?
2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 418.32 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 42810175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).