2,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)benzamide

C10H9Cl2N3O — CID 2807358

IUPAC2,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)benzamide
SMILESO=C(NC1=NCCN1)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H9Cl2N3O/c11-6-2-1-3-7(12)8(6)9(16)15-10-13-4-5-14-10/h1-3H,4-5H2,(H2,13,14,15,16)
InChIKeyFIEAGGWJKSOGDQ-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.68
Rot. Bonds1

About 2,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)benzamide

2,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)benzamide (PubChem CID 2807358) has the molecular formula C10H9Cl2N3O and a molecular weight of 258.11 g/mol. Its IUPAC name is 2,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)benzamide
PubChem CID2807358
Molecular FormulaC10H9Cl2N3O
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name2,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)benzamide
SMILESO=C(NC1=NCCN1)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H9Cl2N3O/c11-6-2-1-3-7(12)8(6)9(16)15-10-13-4-5-14-10/h1-3H,4-5H2,(H2,13,14,15,16)
InChIKeyFIEAGGWJKSOGDQ-UHFFFAOYSA-N
XLogP1.68
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)benzamide?
The IUPAC name of 2,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)benzamide (CID 2807358) is 2,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)benzamide is O=C(NC1=NCCN1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)benzamide?
The InChIKey is FIEAGGWJKSOGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O/c11-6-2-1-3-7(12)8(6)9(16)15-10-13-4-5-14-10/h1-3H,4-5H2,(H2,13,14,15,16).
What are the key properties of 2,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)benzamide?
2,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)benzamide has a molecular weight of 258.11 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)benzamide is sourced from PubChem (CID 2807358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).