1-benzyl-5-(2-chloro-6-fluorophenyl)-4,5-dihydroimidazol-2-amine

C16H15ClFN3 — CID 79497987

IUPAC1-benzyl-5-(2-chloro-6-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2c(F)cccc2Cl)N1Cc1ccccc1
InChIInChI=1S/C16H15ClFN3/c17-12-7-4-8-13(18)15(12)14-9-20-16(19)21(14)10-11-5-2-1-3-6-11/h1-8,14H,9-10H2,(H2,19,20)
InChIKeyIIJRJBGBURSMFX-UHFFFAOYSA-N
MW303.77 g/mol
LogP3.35
Rot. Bonds3

About 1-benzyl-5-(2-chloro-6-fluorophenyl)-4,5-dihydroimidazol-2-amine

1-benzyl-5-(2-chloro-6-fluorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79497987) has the molecular formula C16H15ClFN3 and a molecular weight of 303.77 g/mol. Its IUPAC name is 1-benzyl-5-(2-chloro-6-fluorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-benzyl-5-(2-chloro-6-fluorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79497987
Molecular FormulaC16H15ClFN3
Molecular Weight303.77 g/mol
Exact Mass303.09
IUPAC Name1-benzyl-5-(2-chloro-6-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2c(F)cccc2Cl)N1Cc1ccccc1
InChIInChI=1S/C16H15ClFN3/c17-12-7-4-8-13(18)15(12)14-9-20-16(19)21(14)10-11-5-2-1-3-6-11/h1-8,14H,9-10H2,(H2,19,20)
InChIKeyIIJRJBGBURSMFX-UHFFFAOYSA-N
XLogP3.35
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 44371599
(4S,5R)-4,5-bis(2-chlorophenyl)-N-[(3-fluorophenyl)methyl]imidazolidin-2-imine
CID 136018716
4-(2-Chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 44371633
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine
CID 16682615
6-(3-Chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 17060772
2-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-2H-1,3,5-triazine-4,6-diamine
CID 6624554
5-(3-Chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 44371829
4-(2,6-Dichlorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 44371837
(4S)-1,4-dibenzyl-4,5-dihydroimidazol-2-amine;hydrochloride
CID 127039480
(4S)-1-benzyl-4-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride
CID 127039484
DJ 7141
CID 174123
1-[2-(3-Fluorophenyl)ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine
CID 73307603

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(2-chloro-6-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-benzyl-5-(2-chloro-6-fluorophenyl)-4,5-dihydroimidazol-2-amine (CID 79497987) is 1-benzyl-5-(2-chloro-6-fluorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-benzyl-5-(2-chloro-6-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-benzyl-5-(2-chloro-6-fluorophenyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(c2c(F)cccc2Cl)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(2-chloro-6-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is IIJRJBGBURSMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3/c17-12-7-4-8-13(18)15(12)14-9-20-16(19)21(14)10-11-5-2-1-3-6-11/h1-8,14H,9-10H2,(H2,19,20).
What are the key properties of 1-benzyl-5-(2-chloro-6-fluorophenyl)-4,5-dihydroimidazol-2-amine?
1-benzyl-5-(2-chloro-6-fluorophenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 303.77 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(2-chloro-6-fluorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79497987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).