N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine

C16H14Cl2FN3 — CID 6603884

IUPACN-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1ccc(CN(C2=NCCN2)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H14Cl2FN3/c17-13-2-1-3-14(18)15(13)22(16-20-8-9-21-16)10-11-4-6-12(19)7-5-11/h1-7H,8-10H2,(H,20,21)
InChIKeyQONNLUMTBIZJFP-UHFFFAOYSA-N
MW338.21 g/mol
LogP4.10
Rot. Bonds3

About N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine

N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 6603884) has the molecular formula C16H14Cl2FN3 and a molecular weight of 338.21 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID6603884
Molecular FormulaC16H14Cl2FN3
Molecular Weight338.21 g/mol
Exact Mass337.05
IUPAC NameN-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1ccc(CN(C2=NCCN2)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H14Cl2FN3/c17-13-2-1-3-14(18)15(13)22(16-20-8-9-21-16)10-11-4-6-12(19)7-5-11/h1-7H,8-10H2,(H,20,21)
InChIKeyQONNLUMTBIZJFP-UHFFFAOYSA-N
XLogP4.10
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine (CID 6603884) is N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine is Fc1ccc(CN(C2=NCCN2)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is QONNLUMTBIZJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FN3/c17-13-2-1-3-14(18)15(13)22(16-20-8-9-21-16)10-11-4-6-12(19)7-5-11/h1-7H,8-10H2,(H,20,21).
What are the key properties of N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 338.21 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 6603884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).