N-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide;hydrochloride

C12H14Cl3N3O2 — CID 159092314

IUPACN-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1c(Cl)cc(OCC2=NCCN2)cc1Cl.Cl
InChIInChI=1S/C12H13Cl2N3O2.ClH/c1-7(18)17-12-9(13)4-8(5-10(12)14)19-6-11-15-2-3-16-11;/h4-5H,2-3,6H2,1H3,(H,15,16)(H,17,18);1H
InChIKeyKCFJWKHWKWASOM-UHFFFAOYSA-N
MW338.62 g/mol
LogP2.75
Rot. Bonds4

About N-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide;hydrochloride

N-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide;hydrochloride (PubChem CID 159092314) has the molecular formula C12H14Cl3N3O2 and a molecular weight of 338.62 g/mol. Its IUPAC name is N-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide;hydrochloride
PubChem CID159092314
Molecular FormulaC12H14Cl3N3O2
Molecular Weight338.62 g/mol
Exact Mass337.02
IUPAC NameN-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1c(Cl)cc(OCC2=NCCN2)cc1Cl.Cl
InChIInChI=1S/C12H13Cl2N3O2.ClH/c1-7(18)17-12-9(13)4-8(5-10(12)14)19-6-11-15-2-3-16-11;/h4-5H,2-3,6H2,1H3,(H,15,16)(H,17,18);1H
InChIKeyKCFJWKHWKWASOM-UHFFFAOYSA-N
XLogP2.75
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.62
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide;hydrochloride?
The IUPAC name of N-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide;hydrochloride (CID 159092314) is N-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide;hydrochloride is CC(=O)Nc1c(Cl)cc(OCC2=NCCN2)cc1Cl.Cl.
What is the InChIKey of N-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide;hydrochloride?
The InChIKey is KCFJWKHWKWASOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2.ClH/c1-7(18)17-12-9(13)4-8(5-10(12)14)19-6-11-15-2-3-16-11;/h4-5H,2-3,6H2,1H3,(H,15,16)(H,17,18);1H.
What are the key properties of N-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide;hydrochloride?
N-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide;hydrochloride has a molecular weight of 338.62 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 159092314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).