2-N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-1-N,1-N,2-N',2-N'-tetraethylpropane-1,2,2-triamine

C20H33Cl2N5 — CID 57479512

IUPAC2-N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-1-N,1-N,2-N',2-N'-tetraethylpropane-1,2,2-triamine
SMILESCCN(CC)CC(C)(NC1=NCC(c2ccc(Cl)cc2Cl)N1)N(CC)CC
InChIInChI=1S/C20H33Cl2N5/c1-6-26(7-2)14-20(5,27(8-3)9-4)25-19-23-13-18(24-19)16-11-10-15(21)12-17(16)22/h10-12,18H,6-9,13-14H2,1-5H3,(H2,23,24,25)
InChIKeyAXHALXUWGWZCQX-UHFFFAOYSA-N
MW414.43 g/mol
LogP3.98
Rot. Bonds9

About 2-N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-1-N,1-N,2-N',2-N'-tetraethylpropane-1,2,2-triamine

2-N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-1-N,1-N,2-N',2-N'-tetraethylpropane-1,2,2-triamine (PubChem CID 57479512) has the molecular formula C20H33Cl2N5 and a molecular weight of 414.43 g/mol. Its IUPAC name is 2-N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-1-N,1-N,2-N',2-N'-tetraethylpropane-1,2,2-triamine.

Molecular Properties

Compound Name2-N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-1-N,1-N,2-N',2-N'-tetraethylpropane-1,2,2-triamine
PubChem CID57479512
Molecular FormulaC20H33Cl2N5
Molecular Weight414.43 g/mol
Exact Mass413.21
IUPAC Name2-N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-1-N,1-N,2-N',2-N'-tetraethylpropane-1,2,2-triamine
SMILESCCN(CC)CC(C)(NC1=NCC(c2ccc(Cl)cc2Cl)N1)N(CC)CC
InChIInChI=1S/C20H33Cl2N5/c1-6-26(7-2)14-20(5,27(8-3)9-4)25-19-23-13-18(24-19)16-11-10-15(21)12-17(16)22/h10-12,18H,6-9,13-14H2,1-5H3,(H2,23,24,25)
InChIKeyAXHALXUWGWZCQX-UHFFFAOYSA-N
XLogP3.98
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-1-N,1-N,2-N',2-N'-tetraethylpropane-1,2,2-triamine with MolForge

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Related Compounds

methyl N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
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(3R)-3-(2,4-dichlorophenyl)-6-ethoxy-2,3,4,5-tetrahydropyridine
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Frequently Asked Questions

What is the IUPAC name of 2-N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-1-N,1-N,2-N',2-N'-tetraethylpropane-1,2,2-triamine?
The IUPAC name of 2-N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-1-N,1-N,2-N',2-N'-tetraethylpropane-1,2,2-triamine (CID 57479512) is 2-N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-1-N,1-N,2-N',2-N'-tetraethylpropane-1,2,2-triamine.
What is the SMILES notation for 2-N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-1-N,1-N,2-N',2-N'-tetraethylpropane-1,2,2-triamine?
The canonical SMILES for 2-N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-1-N,1-N,2-N',2-N'-tetraethylpropane-1,2,2-triamine is CCN(CC)CC(C)(NC1=NCC(c2ccc(Cl)cc2Cl)N1)N(CC)CC.
What is the InChIKey of 2-N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-1-N,1-N,2-N',2-N'-tetraethylpropane-1,2,2-triamine?
The InChIKey is AXHALXUWGWZCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33Cl2N5/c1-6-26(7-2)14-20(5,27(8-3)9-4)25-19-23-13-18(24-19)16-11-10-15(21)12-17(16)22/h10-12,18H,6-9,13-14H2,1-5H3,(H2,23,24,25).
What are the key properties of 2-N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-1-N,1-N,2-N',2-N'-tetraethylpropane-1,2,2-triamine?
2-N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-1-N,1-N,2-N',2-N'-tetraethylpropane-1,2,2-triamine has a molecular weight of 414.43 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-1-N,1-N,2-N',2-N'-tetraethylpropane-1,2,2-triamine is sourced from PubChem (CID 57479512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).