N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine

C15H19Cl2N3 — CID 66146288

IUPACN-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncn1CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3/c1-11(2)19-9-14-8-18-10-20(14)6-5-12-3-4-13(16)7-15(12)17/h3-4,7-8,10-11,19H,5-6,9H2,1-2H3
InChIKeyACLUOPIWRHNLGC-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.93
Rot. Bonds6

About N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine

N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine (PubChem CID 66146288) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine
PubChem CID66146288
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC NameN-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncn1CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3/c1-11(2)19-9-14-8-18-10-20(14)6-5-12-3-4-13(16)7-15(12)17/h3-4,7-8,10-11,19H,5-6,9H2,1-2H3
InChIKeyACLUOPIWRHNLGC-UHFFFAOYSA-N
XLogP3.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine (CID 66146288) is N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cncn1CCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is ACLUOPIWRHNLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-11(2)19-9-14-8-18-10-20(14)6-5-12-3-4-13(16)7-15(12)17/h3-4,7-8,10-11,19H,5-6,9H2,1-2H3.
What are the key properties of N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine?
N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 312.24 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66146288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).