(2,6-dichloro-4-pyridinyl)-(2-methyl-4,5-dihydroimidazol-1-yl)methanone

C10H9Cl2N3O — CID 3044880

IUPAC(2,6-dichloro-4-pyridinyl)-(2-methyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCC1=NCCN1C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C10H9Cl2N3O/c1-6-13-2-3-15(6)10(16)7-4-8(11)14-9(12)5-7/h4-5H,2-3H2,1H3
InChIKeyOPODIOSIQDIKRP-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.26
Rot. Bonds1

About (2,6-dichloro-4-pyridinyl)-(2-methyl-4,5-dihydroimidazol-1-yl)methanone

(2,6-dichloro-4-pyridinyl)-(2-methyl-4,5-dihydroimidazol-1-yl)methanone (PubChem CID 3044880) has the molecular formula C10H9Cl2N3O and a molecular weight of 258.11 g/mol. Its IUPAC name is (2,6-dichloro-4-pyridinyl)-(2-methyl-4,5-dihydroimidazol-1-yl)methanone.

Molecular Properties

Compound Name(2,6-dichloro-4-pyridinyl)-(2-methyl-4,5-dihydroimidazol-1-yl)methanone
PubChem CID3044880
Molecular FormulaC10H9Cl2N3O
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name(2,6-dichloro-4-pyridinyl)-(2-methyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCC1=NCCN1C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C10H9Cl2N3O/c1-6-13-2-3-15(6)10(16)7-4-8(11)14-9(12)5-7/h4-5H,2-3H2,1H3
InChIKeyOPODIOSIQDIKRP-UHFFFAOYSA-N
XLogP2.26
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-4-pyridinyl)-(2-methyl-4,5-dihydroimidazol-1-yl)methanone?
The IUPAC name of (2,6-dichloro-4-pyridinyl)-(2-methyl-4,5-dihydroimidazol-1-yl)methanone (CID 3044880) is (2,6-dichloro-4-pyridinyl)-(2-methyl-4,5-dihydroimidazol-1-yl)methanone.
What is the SMILES notation for (2,6-dichloro-4-pyridinyl)-(2-methyl-4,5-dihydroimidazol-1-yl)methanone?
The canonical SMILES for (2,6-dichloro-4-pyridinyl)-(2-methyl-4,5-dihydroimidazol-1-yl)methanone is CC1=NCCN1C(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of (2,6-dichloro-4-pyridinyl)-(2-methyl-4,5-dihydroimidazol-1-yl)methanone?
The InChIKey is OPODIOSIQDIKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O/c1-6-13-2-3-15(6)10(16)7-4-8(11)14-9(12)5-7/h4-5H,2-3H2,1H3.
What are the key properties of (2,6-dichloro-4-pyridinyl)-(2-methyl-4,5-dihydroimidazol-1-yl)methanone?
(2,6-dichloro-4-pyridinyl)-(2-methyl-4,5-dihydroimidazol-1-yl)methanone has a molecular weight of 258.11 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-4-pyridinyl)-(2-methyl-4,5-dihydroimidazol-1-yl)methanone is sourced from PubChem (CID 3044880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).