2-[(2-chloro-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole

C10H10ClFN2 — CID 58951774

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESFc1cccc(Cl)c1CC1=NCCN1
InChIInChI=1S/C10H10ClFN2/c11-8-2-1-3-9(12)7(8)6-10-13-4-5-14-10/h1-3H,4-6H2,(H,13,14)
InChIKeyDDGNGLYAUMSGTP-UHFFFAOYSA-N
MW212.66 g/mol
LogP2.02
Rot. Bonds2

About 2-[(2-chloro-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole

2-[(2-chloro-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 58951774) has the molecular formula C10H10ClFN2 and a molecular weight of 212.66 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID58951774
Molecular FormulaC10H10ClFN2
Molecular Weight212.66 g/mol
Exact Mass212.05
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESFc1cccc(Cl)c1CC1=NCCN1
InChIInChI=1S/C10H10ClFN2/c11-8-2-1-3-9(12)7(8)6-10-13-4-5-14-10/h1-3H,4-6H2,(H,13,14)
InChIKeyDDGNGLYAUMSGTP-UHFFFAOYSA-N
XLogP2.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole (CID 58951774) is 2-[(2-chloro-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole is Fc1cccc(Cl)c1CC1=NCCN1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is DDGNGLYAUMSGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2/c11-8-2-1-3-9(12)7(8)6-10-13-4-5-14-10/h1-3H,4-6H2,(H,13,14).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole?
2-[(2-chloro-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 212.66 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 58951774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).