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

C20H24Cl3N3O — CID 44664844

IUPACN-cyclohexyl-2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]acetamide chloride
SMILESO=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)NC1CCCCC1.[Cl-]
InChIInChI=1S/C20H23Cl2N3O.ClH/c21-16-9-8-14(11-17(16)22)18-12-24(20-7-4-10-25(18)20)13-19(26)23-15-5-2-1-3-6-15;/h8-9,11-12,15H,1-7,10,13H2;1H
InChIKeyRVQUNLZTMJKKDK-UHFFFAOYSA-N
MW428.79 g/mol
LogP1.15
Rot. Bonds4

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

N-cyclohexyl-2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]acetamide chloride (PubChem CID 44664844) has the molecular formula C20H24Cl3N3O and a molecular weight of 428.79 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]acetamide chloride.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]acetamide chloride
PubChem CID44664844
Molecular FormulaC20H24Cl3N3O
Molecular Weight428.79 g/mol
Exact Mass427.10
IUPAC NameN-cyclohexyl-2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]acetamide chloride
SMILESO=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)NC1CCCCC1.[Cl-]
InChIInChI=1S/C20H23Cl2N3O.ClH/c21-16-9-8-14(11-17(16)22)18-12-24(20-7-4-10-25(18)20)13-19(26)23-15-5-2-1-3-6-15;/h8-9,11-12,15H,1-7,10,13H2;1H
InChIKeyRVQUNLZTMJKKDK-UHFFFAOYSA-N
XLogP1.15
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.79
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-cyclohexyl-2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]acetamide chloride 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 N-cyclohexyl-2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]acetamide chloride?
The IUPAC name of N-cyclohexyl-2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]acetamide chloride (CID 44664844) is N-cyclohexyl-2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]acetamide chloride.
What is the SMILES notation for N-cyclohexyl-2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]acetamide chloride?
The canonical SMILES for N-cyclohexyl-2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]acetamide chloride is O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)NC1CCCCC1.[Cl-].
What is the InChIKey of N-cyclohexyl-2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]acetamide chloride?
The InChIKey is RVQUNLZTMJKKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O.ClH/c21-16-9-8-14(11-17(16)22)18-12-24(20-7-4-10-25(18)20)13-19(26)23-15-5-2-1-3-6-15;/h8-9,11-12,15H,1-7,10,13H2;1H.
What are the key properties of N-cyclohexyl-2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]acetamide chloride?
N-cyclohexyl-2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]acetamide chloride has a molecular weight of 428.79 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]acetamide chloride is sourced from PubChem (CID 44664844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).