2-(3,4-dichlorophenyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]acetamide

C21H19Cl2N3O — CID 134369623

IUPAC2-(3,4-dichlorophenyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NCc1cccc(-c2cn3c(n2)CCC3)c1
InChIInChI=1S/C21H19Cl2N3O/c22-17-7-6-14(10-18(17)23)11-21(27)24-12-15-3-1-4-16(9-15)19-13-26-8-2-5-20(26)25-19/h1,3-4,6-7,9-10,13H,2,5,8,11-12H2,(H,24,27)
InChIKeyQOIRVBBMKNKETR-UHFFFAOYSA-N
MW400.31 g/mol
LogP4.66
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]acetamide

2-(3,4-dichlorophenyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]acetamide (PubChem CID 134369623) has the molecular formula C21H19Cl2N3O and a molecular weight of 400.31 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]acetamide
PubChem CID134369623
Molecular FormulaC21H19Cl2N3O
Molecular Weight400.31 g/mol
Exact Mass399.09
IUPAC Name2-(3,4-dichlorophenyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NCc1cccc(-c2cn3c(n2)CCC3)c1
InChIInChI=1S/C21H19Cl2N3O/c22-17-7-6-14(10-18(17)23)11-21(27)24-12-15-3-1-4-16(9-15)19-13-26-8-2-5-20(26)25-19/h1,3-4,6-7,9-10,13H,2,5,8,11-12H2,(H,24,27)
InChIKeyQOIRVBBMKNKETR-UHFFFAOYSA-N
XLogP4.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]acetamide (CID 134369623) is 2-(3,4-dichlorophenyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)NCc1cccc(-c2cn3c(n2)CCC3)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]acetamide?
The InChIKey is QOIRVBBMKNKETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O/c22-17-7-6-14(10-18(17)23)11-21(27)24-12-15-3-1-4-16(9-15)19-13-26-8-2-5-20(26)25-19/h1,3-4,6-7,9-10,13H,2,5,8,11-12H2,(H,24,27).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]acetamide?
2-(3,4-dichlorophenyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]acetamide has a molecular weight of 400.31 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 134369623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).