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

C12H13Cl2N3O2 — CID 159092315

IUPACN-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide
SMILESCC(=O)Nc1c(Cl)cc(OCC2=NCCN2)cc1Cl
InChIInChI=1S/C12H13Cl2N3O2/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)
InChIKeyONKKUIMTBPTLFU-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.33
Rot. Bonds4

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

N-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide (PubChem CID 159092315) has the molecular formula C12H13Cl2N3O2 and a molecular weight of 302.16 g/mol. Its IUPAC name is N-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide
PubChem CID159092315
Molecular FormulaC12H13Cl2N3O2
Molecular Weight302.16 g/mol
Exact Mass301.04
IUPAC NameN-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide
SMILESCC(=O)Nc1c(Cl)cc(OCC2=NCCN2)cc1Cl
InChIInChI=1S/C12H13Cl2N3O2/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)
InChIKeyONKKUIMTBPTLFU-UHFFFAOYSA-N
XLogP2.33
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.33
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?
The IUPAC name of N-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide (CID 159092315) is N-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for N-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for N-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide is CC(=O)Nc1c(Cl)cc(OCC2=NCCN2)cc1Cl.
What is the InChIKey of N-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide?
The InChIKey is ONKKUIMTBPTLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2/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).
What are the key properties of N-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide?
N-[2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide has a molecular weight of 302.16 g/mol, XLogP of 2.33, 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 is sourced from PubChem (CID 159092315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).