N-[[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine

C16H21Cl2N3 — CID 66147536

IUPACN-[[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(c1ccc(Cl)cc1Cl)n1cncc1CNC(C)(C)C
InChIInChI=1S/C16H21Cl2N3/c1-11(14-6-5-12(17)7-15(14)18)21-10-19-8-13(21)9-20-16(2,3)4/h5-8,10-11,20H,9H2,1-4H3
InChIKeyHDVLSWLNLIYNMM-UHFFFAOYSA-N
MW326.27 g/mol
LogP4.69
Rot. Bonds4

About N-[[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66147536) has the molecular formula C16H21Cl2N3 and a molecular weight of 326.27 g/mol. Its IUPAC name is N-[[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID66147536
Molecular FormulaC16H21Cl2N3
Molecular Weight326.27 g/mol
Exact Mass325.11
IUPAC NameN-[[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(c1ccc(Cl)cc1Cl)n1cncc1CNC(C)(C)C
InChIInChI=1S/C16H21Cl2N3/c1-11(14-6-5-12(17)7-15(14)18)21-10-19-8-13(21)9-20-16(2,3)4/h5-8,10-11,20H,9H2,1-4H3
InChIKeyHDVLSWLNLIYNMM-UHFFFAOYSA-N
XLogP4.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine (CID 66147536) is N-[[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine is CC(c1ccc(Cl)cc1Cl)n1cncc1CNC(C)(C)C.
What is the InChIKey of N-[[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is HDVLSWLNLIYNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3/c1-11(14-6-5-12(17)7-15(14)18)21-10-19-8-13(21)9-20-16(2,3)4/h5-8,10-11,20H,9H2,1-4H3.
What are the key properties of N-[[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 326.27 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66147536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).