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

C23H24Cl2N4O — CID 134369670

IUPAC2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]acetamide
SMILESCN(C)c1ccc(-c2cn3c(n2)CCC3)cc1CNC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H24Cl2N4O/c1-28(2)21-8-6-16(20-14-29-9-3-4-22(29)27-20)12-17(21)13-26-23(30)11-15-5-7-18(24)19(25)10-15/h5-8,10,12,14H,3-4,9,11,13H2,1-2H3,(H,26,30)
InChIKeyKMARVDJMQLSDNW-UHFFFAOYSA-N
MW443.38 g/mol
LogP4.73
Rot. Bonds6

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

2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]acetamide (PubChem CID 134369670) has the molecular formula C23H24Cl2N4O and a molecular weight of 443.38 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]acetamide
PubChem CID134369670
Molecular FormulaC23H24Cl2N4O
Molecular Weight443.38 g/mol
Exact Mass442.13
IUPAC Name2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]acetamide
SMILESCN(C)c1ccc(-c2cn3c(n2)CCC3)cc1CNC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H24Cl2N4O/c1-28(2)21-8-6-16(20-14-29-9-3-4-22(29)27-20)12-17(21)13-26-23(30)11-15-5-7-18(24)19(25)10-15/h5-8,10,12,14H,3-4,9,11,13H2,1-2H3,(H,26,30)
InChIKeyKMARVDJMQLSDNW-UHFFFAOYSA-N
XLogP4.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.38
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]acetamide (CID 134369670) is 2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]acetamide is CN(C)c1ccc(-c2cn3c(n2)CCC3)cc1CNC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]acetamide?
The InChIKey is KMARVDJMQLSDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O/c1-28(2)21-8-6-16(20-14-29-9-3-4-22(29)27-20)12-17(21)13-26-23(30)11-15-5-7-18(24)19(25)10-15/h5-8,10,12,14H,3-4,9,11,13H2,1-2H3,(H,26,30).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]acetamide?
2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]acetamide has a molecular weight of 443.38 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(dimethylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 134369670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).